2,6-dimethyl-N-(4-methylphenyl)aniline

• ChemBase ID: 796905
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: N(c1c(cccc1C)C)c1ccc(cc1)C
• Canonical SMILES: Cc1cccc(c1Nc1ccc(cc1)C)C
• InChI: InChI=1S/C15H17N/c1-11-7-9-14(10-8-11)16-15-12(2)5-4-6-13(15)3/h4-10,16H,1-3H3
• InChIKey: TXARYTJORYGQKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-N-(4-methylphenyl)aniline
• IUPAC Traditional name: 2,6-dimethyl-N-(4-methylphenyl)aniline
• Synonyms: 2,6-DiMethyl-N-(p-tolyl)aniline

Database IDs

• CAS Number: 24542-61-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.9534163
• LogD (pH = 7.4): 4.9534354
• Log P: 4.953436
• Molar Refractivity: 69.6678 cm^3
• Polarizability: 26.433573 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%