Explore 776 | PiHKAL

Exploring 776. To explore a different substance…

IUPAC name

2-(tert-Butylamino)-1-(3,5-difluorophenyl)propan-1-one

ID 776 · Formula C₁₃H₁₇F₂NO · Molecular weight 241.277

InChI InChI=1S/C13H17F2NO/c1-8(16-13(2,3)4)12(17)9-5-10(14)7-11(15)6-9/h5-8,16H,1-4H3

InChI Key CXFKXPAAWKFBPJ-UHFFFAOYSA-N This stereoisomer Any stereoisomer

SMILES CC(C(=O)c1cc(F)cc(c1)F)NC(C)(C)C

Carroll, FI; Blough, BE; Abraham, P; Mills, AC; Holleman, JA; Wolckenhauer, SA; Decker, AM; Landavazo, A; McElroy, KT; Navarro, HA; Gatch, MB; Forster, MJ. Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for cocaine addiction J. Med. Chem., 12 Nov 2009, 52 (21), 6768–2781. 1.1 MB. https://doi.org/10.1021/jm901189z #1m NMR,other

772

9615

7 Dec 2019 · · Isomer Design