2-ethoxy-N-methylaniline hydrochloride

• ChemBase ID: 243382
• Molecular Formular: C9H14ClNO
• Molecular Mass: 187.66656
• Monoisotopic Mass: 187.07639175
• SMILES: c1(c(OCC)cccc1)NC.Cl
• Canonical SMILES: CCOc1ccccc1NC.Cl
• InChI: InChI=1S/C9H13NO.ClH/c1-3-11-9-7-5-4-6-8(9)10-2;/h4-7,10H,3H2,1-2H3;1H
• InChIKey: KTEXNNGLWLGFKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-N-methylaniline hydrochloride
• IUPAC Traditional name: 2-ethoxy-N-methylaniline hydrochloride
• Synonyms: 2-ethoxy-N-methylaniline hydrochloride

Database IDs

• MDL Number: MFCD22578661
• PubChem SID: 164299292
• PubChem CID: 71757242

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.521895
• LogD (pH = 7.4): 1.6433682
• Log P: 1.6451607
• Molar Refractivity: 47.4636 cm^3
• Polarizability: 17.675163 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.273

Product Information

• Purity: 95%