(2-ethoxy-3-methoxyphenyl)methanamine

• ChemBase ID: 308137
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(c(CN)cccc1OC)OCC
• Canonical SMILES: CCOc1c(CN)cccc1OC
• InChI: InChI=1S/C10H15NO2/c1-3-13-10-8(7-11)5-4-6-9(10)12-2/h4-6H,3,7,11H2,1-2H3
• InChIKey: OSEQUTZSYCJOBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethoxy-3-methoxyphenyl)methanamine
• IUPAC Traditional name: (2-ethoxy-3-methoxyphenyl)methanamine
• Synonyms: (2-ethoxy-3-methoxybenzyl)amine

Database IDs

• CAS Number: 80365-01-1
• MDL Number: MFCD07754793

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7378739
• LogD (pH = 7.4): -0.3614213
• Log P: 1.1404797
• Molar Refractivity: 52.2064 cm^3
• Polarizability: 20.569174 Å^3
• Polar Surface Area: 44.48 Å^2