[2-(3,4-dimethoxyphenyl)ethyl][(2-methylphenyl)methyl]amine

• ChemBase ID: 310838
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: c1(c(ccc(c1)CCNCc1c(C)cccc1)OC)OC
• Canonical SMILES: COc1cc(CCNCc2ccccc2C)ccc1OC
• InChI: InChI=1S/C18H23NO2/c1-14-6-4-5-7-16(14)13-19-11-10-15-8-9-17(20-2)18(12-15)21-3/h4-9,12,19H,10-11,13H2,1-3H3
• InChIKey: SCBOPESLHFKADW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3,4-dimethoxyphenyl)ethyl][(2-methylphenyl)methyl]amine
• IUPAC Traditional name: [2-(3,4-dimethoxyphenyl)ethyl][(2-methylphenyl)methyl]amine
• Synonyms: 2-(3,4-dimethoxyphenyl)-N-(2-methylbenzyl)ethanamine

Database IDs

• CAS Number: 356093-47-5
• MDL Number: MFCD01468560

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5307572
• LogD (pH = 7.4): 1.3240716
• Log P: 3.7428079
• Molar Refractivity: 86.6412 cm^3
• Polarizability: 33.719414 Å^3
• Polar Surface Area: 30.49 Å^2