1-[3-(trifluoromethyl)phenyl]propan-2-amine

• ChemBase ID: 128661
• Molecular Formular: C10H12F3N
• Molecular Mass: 203.2041896
• Monoisotopic Mass: 203.09218405
• SMILES: FC(F)(F)c1cccc(c1)CC(N)C
• Canonical SMILES: CC(Cc1cccc(c1)C(F)(F)F)N
• InChI: InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3
• InChIKey: MLBHFBKZUPLWBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(trifluoromethyl)phenyl]propan-2-amine
• IUPAC Traditional name: norfenfluramine
• Synonyms: 3-Trifluoromethylamphetamine; Norfenfluramine

Database IDs

• CAS Number: 19036-73-8
• PubChem SID: 162222968
• PubChem CID: 15897
• Chemspider ID: 15108
• IUPHAR ligand ID: 215
• Wikipedia Title: Norfenfluramine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.33613905
• LogD (pH = 7.4): 0.22435018
• Log P: 2.6820989
• Molar Refractivity: 49.6789 cm^3
• Polarizability: 18.339003 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true