(2-ethoxyphenyl)methanamine hydrochloride

• ChemBase ID: 271820
• Molecular Formular: C9H14ClNO
• Molecular Mass: 187.66656
• Monoisotopic Mass: 187.07639175
• SMILES: c1(c(OCC)cccc1)CN.Cl
• Canonical SMILES: CCOc1ccccc1CN.Cl
• InChI: InChI=1S/C9H13NO.ClH/c1-2-11-9-6-4-3-5-8(9)7-10;/h3-6H,2,7,10H2,1H3;1H
• InChIKey: CRFNBYQJSHZZHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethoxyphenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-ethoxyphenyl)methanamine hydrochloride
• Synonyms: (2-ethoxyphenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD07783702
• PubChem SID: 164327730
• PubChem CID: 24721670

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5973203
• LogD (pH = 7.4): -0.26016837
• Log P: 1.2981509
• Molar Refractivity: 45.7432 cm^3
• Polarizability: 18.066826 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): 1.542

Product Information

• Purity: 95%