N-methyl-2-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine

• ChemBase ID: 247310
• Molecular Formular: C13H16F3N
• Molecular Mass: 243.2680496
• Monoisotopic Mass: 243.12348418
• SMILES: C(c1ccc(C2C(NC)CCC2)cc1)(F)(F)F
• Canonical SMILES: CNC1CCCC1c1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C13H16F3N/c1-17-12-4-2-3-11(12)9-5-7-10(8-6-9)13(14,15)16/h5-8,11-12,17H,2-4H2,1H3
• InChIKey: CCHQLPASKAIUGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine
• IUPAC Traditional name: N-methyl-2-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine
• Synonyms: N-methyl-2-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine

Database IDs

• MDL Number: MFCD17126424
• PubChem SID: 164303220
• PubChem CID: 62801442

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.30732274
• LogD (pH = 7.4): 0.7758179
• Log P: 3.5384486
• Molar Refractivity: 61.6469 cm^3
• Polarizability: 23.090082 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.395

Product Information

• Purity: 95%