2,5-dimethyl-N-(4-methylphenyl)aniline

• ChemBase ID: 796687
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: N(c1c(ccc(c1)C)C)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)Nc1cc(C)ccc1C
• InChI: InChI=1S/C15H17N/c1-11-5-8-14(9-6-11)16-15-10-12(2)4-7-13(15)3/h4-10,16H,1-3H3
• InChIKey: RIZPFWRJZZTLDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-N-(4-methylphenyl)aniline
• IUPAC Traditional name: 2,5-dimethyl-N-(4-methylphenyl)aniline
• Synonyms: 2,5-DiMethyl-N-(p-tolyl)aniline

Database IDs

• CAS Number: 34160-15-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.95341
• LogD (pH = 7.4): 4.9534354
• Log P: 4.953436
• Molar Refractivity: 69.6678 cm^3
• Polarizability: 26.433079 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%