2-ethyl-6-methyl-N,N-diphenylaniline

• ChemBase ID: 798638
• Molecular Formular: C21H21N
• Molecular Mass: 287.39814
• Monoisotopic Mass: 287.16739968
• SMILES: N(c1ccccc1)(c1ccccc1)c1c(cccc1C)CC
• Canonical SMILES: CCc1cccc(c1N(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C21H21N/c1-3-18-12-10-11-17(2)21(18)22(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-16H,3H2,1-2H3
• InChIKey: NVJKMGLHFWGGOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-6-methyl-N,N-diphenylaniline
• IUPAC Traditional name: 2-ethyl-6-methyl-N,N-diphenylaniline
• Synonyms: (2-ethyl-6-methylphenyl)diphenylamine

Database IDs

• CAS Number: 256660-16-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.7662177
• LogD (pH = 7.4): 6.7662177
• Log P: 6.7662177
• Molar Refractivity: 93.9019 cm^3
• Polarizability: 36.148228 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%