benzyl[(3-methylphenyl)methyl]amine

• ChemBase ID: 311635
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: N(Cc1cc(ccc1)C)Cc1ccccc1
• Canonical SMILES: Cc1cccc(c1)CNCc1ccccc1
• InChI: InChI=1S/C15H17N/c1-13-6-5-9-15(10-13)12-16-11-14-7-3-2-4-8-14/h2-10,16H,11-12H2,1H3
• InChIKey: QBRIQEJWKAPIEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[(3-methylphenyl)methyl]amine
• IUPAC Traditional name: benzyl[(3-methylphenyl)methyl]amine
• Synonyms: N-benzyl-1-(3-methylphenyl)methanamine

Database IDs

• CAS Number: 15429-17-1
• MDL Number: MFCD03210630

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6706956
• LogD (pH = 7.4): 2.025743
• Log P: 3.769489
• Molar Refractivity: 68.9598 cm^3
• Polarizability: 27.006205 Å^3
• Polar Surface Area: 12.03 Å^2