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

• ChemBase ID: 311327
• Molecular Formular: C19H25NO2
• Molecular Mass: 299.4073
• Monoisotopic Mass: 299.18852905
• SMILES: c1(c(ccc(c1)CCNCc1ccc(cc1)CC)OC)OC
• Canonical SMILES: CCc1ccc(cc1)CNCCc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C19H25NO2/c1-4-15-5-7-17(8-6-15)14-20-12-11-16-9-10-18(21-2)19(13-16)22-3/h5-10,13,20H,4,11-12,14H2,1-3H3
• InChIKey: LYMFHONIVZTTIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 353773-29-2
• MDL Number: MFCD02052624

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.97687185
• LogD (pH = 7.4): 1.7878783
• Log P: 4.1873765
• Molar Refractivity: 91.2422 cm^3
• Polarizability: 35.56412 Å^3
• Polar Surface Area: 30.49 Å^2