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

• ChemBase ID: 128054
• Molecular Formular: C12H16F3N
• Molecular Mass: 231.2573496
• Monoisotopic Mass: 231.12348418
• SMILES: FC(F)(F)c1cccc(c1)C[C@H](NCC)C
• Canonical SMILES: CCN[C@@H](Cc1cccc(c1)C(F)(F)F)C
• InChI: InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m1/s1
• InChIKey: DBGIVFWFUFKIQN-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine
• IUPAC Traditional name: (-)-fenfluramine
• Synonyms: Levofenfluramine

Database IDs

• CAS Number: 37577-24-5
• PubChem SID: 162222370
• PubChem CID: 65801
• Chemspider ID: 59217
• Wikipedia Title: Levofenfluramine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.24381867
• LogD (pH = 7.4): 0.7935381
• Log P: 3.4714873
• Molar Refractivity: 59.2021 cm^3
• Polarizability: 21.97514 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true