(2-ethoxy-3-methoxyphenyl)methanamine hydrochloride

• ChemBase ID: 24320
• Molecular Formular: C10H16ClNO2
• Molecular Mass: 217.69254
• Monoisotopic Mass: 217.08695644
• SMILES: c1(c(CN)cccc1OC)OCC.Cl
• Canonical SMILES: CCOc1c(CN)cccc1OC.Cl
• InChI: InChI=1S/C10H15NO2.ClH/c1-3-13-10-8(7-11)5-4-6-9(10)12-2;/h4-6H,3,7,11H2,1-2H3;1H
• InChIKey: PWWDEXCWUMZHPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethoxy-3-methoxyphenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-ethoxy-3-methoxyphenyl)methanamine hydrochloride
• Synonyms: (2-Ethoxy-3-methoxyphenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD09991471
• PubChem SID: 160987627
• PubChem CID: 23722993

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
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false