[(3-ethoxy-4-methoxyphenyl)methyl](1-methoxypropan-2-yl)amine

• ChemBase ID: 310836
• Molecular Formular: C14H23NO3
• Molecular Mass: 253.33732
• Monoisotopic Mass: 253.1677936
• SMILES: c1(c(ccc(c1)CNC(COC)C)OC)OCC
• Canonical SMILES: COCC(NCc1ccc(c(c1)OCC)OC)C
• InChI: InChI=1S/C14H23NO3/c1-5-18-14-8-12(6-7-13(14)17-4)9-15-11(2)10-16-3/h6-8,11,15H,5,9-10H2,1-4H3
• InChIKey: WVBNVUIQLOXZKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-ethoxy-4-methoxyphenyl)methyl](1-methoxypropan-2-yl)amine
• IUPAC Traditional name: [(3-ethoxy-4-methoxyphenyl)methyl](1-methoxypropan-2-yl)amine
• Synonyms: (3-ethoxy-4-methoxybenzyl)(2-methoxy-1-methylethyl)amine

Database IDs

• CAS Number: 356091-97-9
• MDL Number: MFCD01817795

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0911174
• LogD (pH = 7.4): 0.3868919
• Log P: 1.9426596
• Molar Refractivity: 72.4433 cm^3
• Polarizability: 28.62693 Å^3
• Polar Surface Area: 39.72 Å^2