Explore 4-Isobutylthionorephedrine

Exploring 4-Isobutylthionorephedrine. To explore a different substance…

Name

4-Isobutylthionorephedrine

IUPAC name

2-Amino-1-{4-[(2-methylpropyl)sulfanyl]phenyl}propan-1-ol

ID 2395 · Formula C₁₃H₂₁NOS · Molecular weight 239.377

InChI InChI=1S/C13H21NOS/c1-9(2)8-16-12-6-4-11(5-7-12)13(15)10(3)14/h4-7,9-10,13,15H,8,14H2,1-3H3

InChI Key RFFOUBSIKMZWJW-UHFFFAOYSA-N This stereoisomer Any stereoisomer

SMILES CC(CSc1ccc(cc1)C(C(N)C)O)C

Osorio-Olivares, M; Rezende, MC; Sepúlveda-Boza, S; Cassels, BK; Fierro, A. MAO inhibition by arylisopropylamines: the effect of oxygen substituents at the β-position. Bioorg. Med. Chem., 1 Jan 2004, 12 (15), 4055–4066. 412 kB. https://doi.org/10.1016/j.bmc.2004.05.033 #40 MS,NMR

2-TOET

5-TOET

4-Butylthionorephedrine

1398

1595

2297

7 Dec 2019 · · Isomer Design