[(3-ethoxy-4-methoxyphenyl)methyl](methyl)amine

• ChemBase ID: 311021
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(ccc(c1)CNC)OC)OCC
• Canonical SMILES: CNCc1ccc(c(c1)OCC)OC
• InChI: InChI=1S/C11H17NO2/c1-4-14-11-7-9(8-12-2)5-6-10(11)13-3/h5-7,12H,4,8H2,1-3H3
• InChIKey: SVYAPZZAANWWGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-ethoxy-4-methoxyphenyl)methyl](methyl)amine
• IUPAC Traditional name: [(3-ethoxy-4-methoxyphenyl)methyl](methyl)amine
• Synonyms: (3-ethoxy-4-methoxybenzyl)methylamine

Database IDs

• CAS Number: 893581-70-9
• MDL Number: MFCD07405838

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5894876
• LogD (pH = 7.4): -0.44344178
• Log P: 1.57306
• Molar Refractivity: 56.981 cm^3
• Polarizability: 22.412249 Å^3
• Polar Surface Area: 30.49 Å^2