bis(4-methylphenyl)methanamine

• ChemBase ID: 50350
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: C(c1ccc(cc1)C)(c1ccc(cc1)C)N
• Canonical SMILES: NC(c1ccc(cc1)C)c1ccc(cc1)C
• InChI: InChI=1S/C15H17N/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,15H,16H2,1-2H3
• InChIKey: KMPMUIHLWYUKCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methylphenyl)methanamine
• IUPAC Traditional name: bis(4-methylphenyl)methanamine
• Synonyms: Bis(4-methylphenyl)methanamine

Database IDs

• CAS Number: 55095-22-2
• MDL Number: MFCD08704285
• PubChem SID: 162055113
• PubChem CID: 2734069

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9756812
• LogD (pH = 7.4): 2.1971097
• Log P: 3.9100971
• Molar Refractivity: 68.8966 cm^3
• Polarizability: 26.920925 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false