(4-methylphenyl)(phenyl)methanamine

• ChemBase ID: 50351
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: C(c1ccc(cc1)C)(c1ccccc1)N
• Canonical SMILES: Cc1ccc(cc1)C(c1ccccc1)N
• InChI: InChI=1S/C14H15N/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10,14H,15H2,1H3
• InChIKey: UHPQFNXOFFPHJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylphenyl)(phenyl)methanamine
• IUPAC Traditional name: (4-methylphenyl)(phenyl)methanamine
• Synonyms: (4-Methylphenyl)(phenyl)methanamine; 1-(4-methylphenyl)-1-phenylmethanamine; (4-methylphenyl)(phenyl)methylamine

Database IDs

• CAS Number: 55095-21-1
• MDL Number: MFCD00134171
• PubChem SID: 162055114
• PubChem CID: 2734295

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.46970844
• LogD (pH = 7.4): 1.71688
• Log P: 3.3966758
• Molar Refractivity: 63.8554 cm^3
• Polarizability: 25.157047 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80 - 82°C
• Hydrophobicity(logP): 2.941

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%