[(3,4-dimethylphenyl)methyl](methyl)amine

• ChemBase ID: 797528
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: N(Cc1cc(c(cc1)C)C)C
• Canonical SMILES: CNCc1ccc(c(c1)C)C
• InChI: InChI=1S/C10H15N/c1-8-4-5-10(7-11-3)6-9(8)2/h4-6,11H,7H2,1-3H3
• InChIKey: XWOIGIUHCAXXDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dimethylphenyl)methyl](methyl)amine
• IUPAC Traditional name: [(3,4-dimethylphenyl)methyl](methyl)amine
• Synonyms: N-Methyl-3,4-dimethylbenzylamine

Database IDs

• CAS Number: 165741-71-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6449846
• LogD (pH = 7.4): 0.23822734
• Log P: 2.5584373
• Molar Refractivity: 49.3884 cm^3
• Polarizability: 19.126055 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%