[(4-methylphenyl)methyl](2-methylpropyl)amine

• ChemBase ID: 312286
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: N(Cc1ccc(cc1)C)CC(C)C
• Canonical SMILES: CC(CNCc1ccc(cc1)C)C
• InChI: InChI=1S/C12H19N/c1-10(2)8-13-9-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3
• InChIKey: DOWFOZSZFFZDTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methylphenyl)methyl](2-methylpropyl)amine
• IUPAC Traditional name: [(4-methylphenyl)methyl](2-methylpropyl)amine
• Synonyms: 2-methyl-N-(4-methylbenzyl)-1-propanamine

Database IDs

• CAS Number: 869942-00-7
• MDL Number: MFCD04594473

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.06541887
• LogD (pH = 7.4): 0.68857604
• Log P: 3.2893193
• Molar Refractivity: 58.0914 cm^3
• Polarizability: 22.90238 Å^3
• Polar Surface Area: 12.03 Å^2