3-methyl-N-(4-methylphenyl)-N-phenylaniline

• ChemBase ID: 798644
• Molecular Formular: C20H19N
• Molecular Mass: 273.37156
• Monoisotopic Mass: 273.15174961
• SMILES: c1c(N(c2ccc(cc2)C)c2ccccc2)cccc1C
• Canonical SMILES: Cc1ccc(cc1)N(c1cccc(c1)C)c1ccccc1
• InChI: InChI=1S/C20H19N/c1-16-11-13-19(14-12-16)21(18-8-4-3-5-9-18)20-10-6-7-17(2)15-20/h3-15H,1-2H3
• InChIKey: XZEGQPSNQVPGPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-N-(4-methylphenyl)-N-phenylaniline
• IUPAC Traditional name: 3-methyl-N-(4-methylphenyl)-N-phenylaniline
• Synonyms: 3,4'-dimethyltriphenylamine

Database IDs

• CAS Number: 62121-57-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.321649
• LogD (pH = 7.4): 6.321649
• Log P: 6.321649
• Molar Refractivity: 89.3009 cm^3
• Polarizability: 34.30092 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%