[(4-chlorophenyl)methyl](propan-2-yl)amine

• ChemBase ID: 307715
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: N(Cc1ccc(Cl)cc1)C(C)C
• Canonical SMILES: CC(NCc1ccc(cc1)Cl)C
• InChI: InChI=1S/C10H14ClN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
• InChIKey: YAZQVBQICNBWOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-chlorophenyl)methyl](propan-2-yl)amine
• IUPAC Traditional name: [(4-chlorophenyl)methyl](isopropyl)amine
• Synonyms: (4-chlorobenzyl)isopropylamine

Database IDs

• CAS Number: 40066-21-5
• MDL Number: MFCD00716858

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.288687
• LogD (pH = 7.4): 0.6443423
• Log P: 2.9090223
• Molar Refractivity: 53.2782 cm^3
• Polarizability: 21.083887 Å^3
• Polar Surface Area: 12.03 Å^2