[(2,4-dimethylphenyl)methyl](methyl)amine

• ChemBase ID: 249347
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(c(ccc(c1)C)CNC)C
• Canonical SMILES: CNCc1ccc(cc1C)C
• InChI: InChI=1S/C10H15N/c1-8-4-5-10(7-11-3)9(2)6-8/h4-6,11H,7H2,1-3H3
• InChIKey: VSBDOKRWYVKYIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,4-dimethylphenyl)methyl](methyl)amine
• IUPAC Traditional name: [(2,4-dimethylphenyl)methyl](methyl)amine
• Synonyms: N-(2,4-dimethylbenzyl)-N-methylamine

Database IDs

• CAS Number: 766502-85-6
• MDL Number: MFCD06655726
• PubChem SID: 164305257
• PubChem CID: 4962300

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6453813
• LogD (pH = 7.4): 0.23412055
• Log P: 2.5584373
• Molar Refractivity: 49.3884 cm^3
• Polarizability: 19.126387 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198 - 200°C
• Hydrophobicity(logP): 2.458

Product Information

• Purity: 95%