2-(3-methoxyphenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 279489
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: C1(CC1N)c1cc(OC)ccc1.Cl
• Canonical SMILES: COc1cccc(c1)C1CC1N.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-12-8-4-2-3-7(5-8)9-6-10(9)11;/h2-5,9-10H,6,11H2,1H3;1H
• InChIKey: FRZAHERUZSETAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(3-methoxyphenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(3-methoxyphenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20441552
• PubChem SID: 164335399
• PubChem CID: 21190567

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8161039
• LogD (pH = 7.4): -0.9607419
• Log P: 1.1812112
• Molar Refractivity: 48.1598 cm^3
• Polarizability: 19.097548 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 155°C
• Hydrophobicity(logP): 1.397

Product Information

• Purity: 95%