bis[(4-methylphenyl)methyl]amine

• ChemBase ID: 111392
• Molecular Formular: C16H19N
• Molecular Mass: 225.32876
• Monoisotopic Mass: 225.15174961
• SMILES: Cc1ccc(CNCc2ccc(C)cc2)cc1
• Canonical SMILES: Cc1ccc(cc1)CNCc1ccc(cc1)C
• InChI: InChI=1S/C16H19N/c1-13-3-7-15(8-4-13)11-17-12-16-9-5-14(2)6-10-16/h3-10,17H,11-12H2,1-2H3
• InChIKey: XKUYLMSRBGFLFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(4-methylphenyl)methyl]amine
• IUPAC Traditional name: bis[(4-methylphenyl)methyl]amine
• Synonyms: 4,4'-DIMETHYLDIBENZYLAMINE

Database IDs

• PubChem SID: 162106509
• PubChem CID: 523206

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1693397
• LogD (pH = 7.4): 2.4868207
• Log P: 4.2829103
• Molar Refractivity: 74.001 cm^3
• Polarizability: 28.770147 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• Risk Statements: R:25
• Safety Statements: S:28-36/37/39-45-53

DETAILS

MP Biomedicals - 05218997

MP Biomedicals Rare Chemical collection