methyl[(4-phenylphenyl)methyl]amine

• ChemBase ID: 255616
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: c1(c2ccccc2)ccc(cc1)CNC
• Canonical SMILES: CNCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C14H15N/c1-15-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
• InChIKey: GZUHCAWQWUONPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-phenylphenyl)methyl]amine
• IUPAC Traditional name: methyl[(4-phenylphenyl)methyl]amine
• Synonyms: (4-biphenylylmethyl)methylamine; N-(1,1'-biphenyl-4-ylmethyl)-N-methylamine

Database IDs

• CAS Number: 110931-72-1
• MDL Number: MFCD07410264
• PubChem SID: 164311526
• PubChem CID: 4722369

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.01055325
• LogD (pH = 7.4): 0.9851795
• Log P: 3.17882
• Molar Refractivity: 64.4422 cm^3
• Polarizability: 26.709856 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.398

Product Information

• Purity: 95%