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

• ChemBase ID: 311647
• Molecular Formular: C16H19N
• Molecular Mass: 225.32876
• Monoisotopic Mass: 225.15174961
• SMILES: N(C(c1ccccc1)C)Cc1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)CNC(c1ccccc1)C
• InChI: InChI=1S/C16H19N/c1-13-7-6-8-15(11-13)12-17-14(2)16-9-4-3-5-10-16/h3-11,14,17H,12H2,1-2H3
• InChIKey: RIJGFBBPMPGCJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-methylphenyl)methyl](1-phenylethyl)amine
• IUPAC Traditional name: [(3-methylphenyl)methyl](1-phenylethyl)amine
• Synonyms: (3-methylbenzyl)(1-phenylethyl)amine

Database IDs

• CAS Number: 356530-62-6
• MDL Number: MFCD03210632

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0652202
• LogD (pH = 7.4): 2.3623405
• Log P: 4.1860642
• Molar Refractivity: 73.3786 cm^3
• Polarizability: 28.852484 Å^3
• Polar Surface Area: 12.03 Å^2