[4-(3-methylphenyl)phenyl]methanamine

• ChemBase ID: 276532
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: c1(c2ccc(cc2)CN)cc(ccc1)C
• Canonical SMILES: NCc1ccc(cc1)c1cccc(c1)C
• InChI: InChI=1S/C14H15N/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13/h2-9H,10,15H2,1H3
• InChIKey: MOVDBBLPJDDIKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(3-methylphenyl)phenyl]methanamine
• IUPAC Traditional name: [4-(3-methylphenyl)phenyl]methanamine
• Synonyms: [4-(3-methylphenyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD05980931
• PubChem SID: 164332442
• PubChem CID: 1393977

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.27296305
• LogD (pH = 7.4): 1.2216314
• Log P: 3.259661
• Molar Refractivity: 64.7088 cm^3
• Polarizability: 26.624245 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.481

Product Information

• Purity: 95%