2,6-diethyl-4-methylaniline

• ChemBase ID: 796600
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: Nc1c(cc(cc1CC)C)CC
• Canonical SMILES: CCc1cc(C)cc(c1N)CC
• InChI: InChI=1S/C11H17N/c1-4-9-6-8(3)7-10(5-2)11(9)12/h6-7H,4-5,12H2,1-3H3
• InChIKey: OIXUMNZGNCAOKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diethyl-4-methylaniline
• IUPAC Traditional name: 2,6-diethyl-4-methylaniline
• Synonyms: 2,6-Diethyl-4-Methylaniline

Database IDs

• CAS Number: 24544-08-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5335696
• LogD (pH = 7.4): 3.573192
• Log P: 3.5737214
• Molar Refractivity: 55.084 cm^3
• Polarizability: 20.486086 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%