[(4-methylphenyl)methyl](1-phenylethyl)amine

• ChemBase ID: 311654
• Molecular Formular: C16H19N
• Molecular Mass: 225.32876
• Monoisotopic Mass: 225.15174961
• SMILES: N(C(c1ccccc1)C)Cc1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)CNC(c1ccccc1)C
• InChI: InChI=1S/C16H19N/c1-13-8-10-15(11-9-13)12-17-14(2)16-6-4-3-5-7-16/h3-11,14,17H,12H2,1-2H3
• InChIKey: UDQILIFIYSJMCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methylphenyl)methyl](1-phenylethyl)amine
• IUPAC Traditional name: [(4-methylphenyl)methyl](1-phenylethyl)amine
• Synonyms: (4-methylbenzyl)(1-phenylethyl)amine

Database IDs

• CAS Number: 202199-08-4
• MDL Number: MFCD01475089

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0620437
• LogD (pH = 7.4): 2.3498318
• Log P: 4.1860642
• Molar Refractivity: 73.3786 cm^3
• Polarizability: 28.852446 Å^3
• Polar Surface Area: 12.03 Å^2