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The class of structure and substituents have been preset for
PiHKAL #1 AEM
. You can change the individual settings below, or you can preset to search for another substance by typing its name:
1: Pick a class of structure to search for, or click ”more…” to see the individual structures within that class:
Phenethylamine
any phenyl
something
amine
any phenyl
something
more…
Tryptamine
more…
β-Carboline, DHβC or THβC
more…
Isoquinoline
more…
d
-Lysergamide
more…
1a: Check the individual Phenethylamine-class structures to search for:
Phenethylamine
[601]
2-Phenylcyclopropylamine
[2]
Benzylcyclopropanamine
[1]
2-Amino-1-phenylethanone
[22]
ω-Pyrrolidinoacetophenone
[13]
1-Amino-1-phenylpropane
[2]
2-Aminotetralin
[5]
2-Aminoindane
[7]
Benzocyclobutenylmethylamine
[2]
2-Phenoxyethylamine
[2]
Phenylacetic acid
[2]
1-Phenylpropan-2-one
[1]
cis
-Phenylprop-1-ene
[16]
trans
-Phenylprop-1-ene
[16]
Phenylprop-2-ene
[16]
1-Amino-3-phenylpropane
[1]
2: Pick the substituents to search for:
R
6
[anything]
[anything but Hydrogen]
Hydrogen
Methoxy
Methyl
----------------------------------
Bromo
Deutero
[anything]
[anything but Hydrogen]
Hydrogen
Hydroxy
----------------------------------
Alkoxy
----------------------------------
Acetoxy
Deutero
Ethoxy
Methoxy
Methyl
β
1
R
5,6
[any bridge]
2,3-Dihydrofuro[d]
Furo[d]
[anything]
[anything but Hydrogen]
Hydrogen
Hydroxy
----------------------------------
Alkoxy
----------------------------------
Acetoxy
Deutero
Ethoxy
Methoxy
Methyl
β
2
R
5
[anything]
[anything but Hydrogen]
Hydrogen
Hydroxy
Methoxy
Methyl
----------------------------------
Alkoxy
Alkylthio
Halo
----------------------------------
Bromo
Ethoxy
Ethylthio
Fluoro
Iodo
Methylsulfinyl
Methylthio
n-Propoxy
Trideuteromethoxy
[anything]
[anything but Hydrogen]
Hydrogen
Methyl
Ethyl
----------------------------------
Alkyl
----------------------------------
Acetyl
Allyl
n-Amyl
Benzyl
n-Butyl
tert-Butyl
tert-Butylamino
2-Carbamoylbenzyl
1-Carboxyethyl
Carboxymethyl
2-Carboxypyrrole
Citrimide
2-Cyanobenzyl
Cyanomethyl
Cyclopropyl
Cyclopropylmethyl
3-(Dimethylamino)propyl
n-Dodecyl
2-Fluorobenzyl
4-Fluorobenzyl
Formyl
2-Formyl-5-(hydroxymethyl)pyrrole
Furan-2-ylmethyl
n-Hexyl
Hydroxy
2-Hydroxybenzyl
2-Hydroxyethyl
2-(Hydroxymethyl)benzyl
2-Hydroxy-4,5-methylenedioxybenzyl
3-Hydroxynapthalen-2-yl
1-Hydroxynapthalen-2-ylmethyl
2-Hydroxynapthalen-1-ylmethyl
Indole-3-ylmethyl
Isobutyl
Isocitrimide lactone
Isopropyl
Maleimide
Malimide
Methoxy
2-Methoxybenzyl
2-Methoxyethyl
2,3-Methylenedioxybenzyl
3,4-Methylenedioxybenzyl
Napthalen-1-ylmethyl
Napthalen-2-ylmethyl
n-Octyl
n-Pentyl
Propargyl
n-Propyl
Pyridin-2-ylmethyl
Succinimide
Tetrahydrofuran-2-ylmethyl
Thiophen-2-ylmethyl
2,2,2-Trifluoroethyl
2-(Trifluoromethyl)benzyl
4-(Trifluoromethyl)benzyl
N
1
R
4,5
[any bridge]
Methylenedioxy
----------------------------------
2,3-Dihydrofuro[d]
2,2-Dimethyl-2,3-dihydrofuro[d]
2,3-Dimethyl-2,3-dihydrofuro[d]
2-Ethyl-2,3-dihydrofuro[d]
2-Methyl-2,3-dihydrofuro[d]
Tetrahydropyrano[b]
Thiomethyleneoxy
2,3,3-Trimethyl-2,3-dihydrofuro[d]
Trimethylenedioxy
[anything]
[anything but Hydrogen]
Hydrogen
Methyl
Ethyl
----------------------------------
Alkyl
----------------------------------
Acetyl
Allyl
n-Amyl
Benzyl
n-Butyl
tert-Butyl
tert-Butylamino
2-Carbamoylbenzyl
1-Carboxyethyl
Carboxymethyl
2-Carboxypyrrole
Citrimide
2-Cyanobenzyl
Cyanomethyl
Cyclopropyl
Cyclopropylmethyl
3-(Dimethylamino)propyl
n-Dodecyl
2-Fluorobenzyl
4-Fluorobenzyl
Formyl
2-Formyl-5-(hydroxymethyl)pyrrole
Furan-2-ylmethyl
n-Hexyl
Hydroxy
2-Hydroxybenzyl
2-Hydroxyethyl
2-(Hydroxymethyl)benzyl
2-Hydroxy-4,5-methylenedioxybenzyl
3-Hydroxynapthalen-2-yl
1-Hydroxynapthalen-2-ylmethyl
2-Hydroxynapthalen-1-ylmethyl
Indole-3-ylmethyl
Isobutyl
Isocitrimide lactone
Isopropyl
Maleimide
Malimide
Methoxy
2-Methoxybenzyl
2-Methoxyethyl
2,3-Methylenedioxybenzyl
3,4-Methylenedioxybenzyl
Napthalen-1-ylmethyl
Napthalen-2-ylmethyl
n-Octyl
n-Pentyl
Propargyl
n-Propyl
Pyridin-2-ylmethyl
Succinimide
Tetrahydrofuran-2-ylmethyl
Thiophen-2-ylmethyl
2,2,2-Trifluoroethyl
2-(Trifluoromethyl)benzyl
4-(Trifluoromethyl)benzyl
N
2
R
4
[anything]
[anything but Hydrogen]
Hydrogen
Hydroxy
Methoxy
Methyl
----------------------------------
Alkyl
Alkoxy
Alkylthio
Halo
----------------------------------
Acetoxy
Acetylamino
Allyloxy
Allylthio
Amino
n-Amyl
n-Amyloxy
Benzyl
Benzyloxy
Benzylthio
Bromo
4-Bromophenylthio
n-Butoxy
n-Butyl
sec-Butyl
tert-Butyl
4-Butylphenyl
n-Butylthio
sec-Butylthio
tert-Butylthio
Carboxy
Chloro
4-Chlorophenylpropyl
Cyano
Cyclobutylthio
Cyclohexylthio
Cyclopentylthio
Cyclopropylmethoxy
Cyclopropylmethyl
Cyclopropylmethylthio
Cyclopropylthio
2,2-Difluoroethoxy
2,2-Difluouroethylthio
Ethoxy
Ethyl
Ethylseleno
Ethylthio
Ethynyl
Ethynyloxy
Fluoro
4-Fluorobenyzloxy
4-Fluorobutylthio
2-Fluoroethyl
2-Fluoroethyloxy
2-Fluoroethylseleno
2-Fluoroethylthio
3-Fluoropropoxy
3-Fluoropropylthio
n-Heptyloxy
n-Hexyl
n-Hexyloxy
2-Hydroxyethyl
1-Hydroxypropyl
Iodo
Isobutoxy
Isobutyl
Isopropoxy
Isopropyl
Isopropylseleno
Isopropylthio
Methallyloxy
Methallylthio
3-Methoxybenzylthio
2-Methoxyethoxy
2-Methoxyethylthio
2-Methoxyphenyl
3-Methoxyphenyl
4-Methoxyphenyl
4-Methoxyphenylpropyl
3,4-Methylenedioxyphenyl
2-Methylphenyl
Methylseleno
Methyltelluro
Methylthio
2-Methylthioethylthio
1-Morpholinothio
Naphthalen-2-yl
Nitro
3-Nitrophenyl
2,3,4,5,6-Pentafluorobenzylthio
n-Pentyl
n-Pentyloxy
Phenethyl
Phenethyloxy
Phenyl
Phenylbutyl
4-Phenylphenyl
Phenylpropyl
Phenylthio
n-Propoxy
n-Propyl
n-Propylseleno
n-Propylthio
Prop-2-ynyloxy
2-Pyridylthio
Trideuteromethoxy
2,2,2-Trifluoroethoxy
Trifluoromethyl
4-Trifluoromethylbenzylthio
2-(Trifluoromethyl)phenyl
4-(Trifluoromethyl)phenyl
2,2,2-Trifluouroethylthio
Methyl
N
+
R
3,4
[any bridge]
Methylenedioxy
----------------------------------
Benzo
Cyclohexane-1,4-diyl
Cyclopentane-1,3-diyl
Difluoromethylenedioxy
2,3-Dihydrofuro[b]
2,3-Dihydrofuro[d]
Ethylene
Ethylenedioxy
Ethylidenedioxy
Furo[b]
Furo[d]
Isopropylidinedioxy
Propane-1,3-diyl
Pyrrolo[b]
Tetramethylene
[anything]
[anything but Hydrogen]
Hydrogen
Methyl
----------------------------------
Alkyl
----------------------------------
n-Amyl
n-Butyl
Carboxy
Deutero
Ethyl
n-Heptyl
n-Hexyl
n-Nonyl
n-Pentyl
n-Propyl
α
1
R
3
[anything]
[anything but Hydrogen]
Hydrogen
Hydroxy
Methoxy
Methyl
----------------------------------
Alkoxy
Alkylthio
Halo
----------------------------------
Bromo
Chloro
Ethoxy
Ethylthio
Fluoro
Iodo
Methylthio
Trideuteromethoxy
[anything]
[anything but Hydrogen]
Hydrogen
Methyl
----------------------------------
Alkyl
----------------------------------
n-Amyl
n-Butyl
Carboxy
Deutero
Ethyl
n-Heptyl
n-Hexyl
n-Nonyl
n-Pentyl
n-Propyl
α
2
R
2,3
[any bridge]
Methylenedioxy
----------------------------------
2,3-Dihydrofuro[d]
2,2-Dimethyl-2,3-dihydrofuro[d]
Furo[d]
2-Methyl-2,3-dihydrofuro[d]
Propane-1,3-diyl
3: Search for structures
R
2
[anything]
[anything but Hydrogen]
Hydrogen
Hydroxy
Methoxy
Methyl
----------------------------------
Alkoxy
Halo
----------------------------------
Bromo
n-Butoxy
n-Decyloxy
Deutero
Ethoxy
Fluoro
Iodo
Isopropoxy
Methylthio
Page updated 8 September 2010 · Copyright © 2010