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

• ChemBase ID: 312671
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: c1(c(C)cccc1)CNCC(C)C
• Canonical SMILES: CC(CNCc1ccccc1C)C
• InChI: InChI=1S/C12H19N/c1-10(2)8-13-9-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9H2,1-3H3
• InChIKey: ZUDMFQRHJLMGHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 893589-84-9
• MDL Number: MFCD07407709

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.0650995
• LogD (pH = 7.4): 0.68251765
• Log P: 3.2893193
• Molar Refractivity: 58.0914 cm^3
• Polarizability: 22.902655 Å^3
• Polar Surface Area: 12.03 Å^2