methyl[(4-methylphenyl)(phenyl)methyl]amine

• ChemBase ID: 232952
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: C(c1ccc(cc1)C)(c1ccccc1)NC
• Canonical SMILES: CNC(c1ccccc1)c1ccc(cc1)C
• InChI: InChI=1S/C15H17N/c1-12-8-10-14(11-9-12)15(16-2)13-6-4-3-5-7-13/h3-11,15-16H,1-2H3
• InChIKey: OQMBBIMCXKNXGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-methylphenyl)(phenyl)methyl]amine
• IUPAC Traditional name: methyl[(4-methylphenyl)(phenyl)methyl]amine
• Synonyms: N-methyl-N-[(4-methylphenyl)(phenyl)methyl]amine

Database IDs

• CAS Number: 118762-02-0
• MDL Number: MFCD06660685
• PubChem SID: 164288862
• PubChem CID: 3857670

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7346267
• LogD (pH = 7.4): 2.0994475
• Log P: 3.8292563
• Molar Refractivity: 68.63 cm^3
• Polarizability: 27.003698 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%