2-(4-ethoxyphenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 246846
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: C1(CC1N)c1ccc(cc1)OCC.Cl
• Canonical SMILES: CCOc1ccc(cc1)C1CC1N.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-2-13-9-5-3-8(4-6-9)10-7-11(10)12;/h3-6,10-11H,2,7,12H2,1H3;1H
• InChIKey: ANIFDPYYESFYPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(4-ethoxyphenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(4-ethoxyphenyl)cyclopropan-1-amine hydrochloride

Database IDs

• PubChem SID: 164302756
• PubChem CID: 67529363

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4630704
• LogD (pH = 7.4): -0.64717823
• Log P: 1.5380192
• Molar Refractivity: 52.9084 cm^3
• Polarizability: 20.942217 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): 1.926

Product Information

• Purity: 95%