[1-(4-methoxyphenyl)-2-methylpropyl](methyl)amine

• ChemBase ID: 312432
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: C(c1ccc(cc1)OC)(NC)C(C)C
• Canonical SMILES: CNC(c1ccc(cc1)OC)C(C)C
• InChI: InChI=1S/C12H19NO/c1-9(2)12(13-3)10-5-7-11(14-4)8-6-10/h5-9,12-13H,1-4H3
• InChIKey: OIBFSMQALQAMKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-methoxyphenyl)-2-methylpropyl](methyl)amine
• IUPAC Traditional name: [1-(4-methoxyphenyl)-2-methylpropyl](methyl)amine
• Synonyms: 1-(4-methoxyphenyl)-N,2-dimethyl-1-propanamine

Database IDs

• CAS Number: 881486-12-0
• MDL Number: MFCD06735840

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5394411
• LogD (pH = 7.4): 0.18528984
• Log P: 2.6779935
• Molar Refractivity: 59.1836 cm^3
• Polarizability: 23.605011 Å^3
• Polar Surface Area: 21.26 Å^2