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

• ChemBase ID: 88550
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: NC1(c2cc(ccc2)OC)CC1.Cl
• Canonical SMILES: COc1cccc(c1)C1(N)CC1.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-12-9-4-2-3-8(7-9)10(11)5-6-10;/h2-4,7H,5-6,11H2,1H3;1H
• InChIKey: ZUGIJIVPXAETMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxyphenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(3-methoxyphenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 1-Amino-1-(3-methoxyphenyl)cyclopropane hydrochloride; 3-(1-Aminocycloprop-1-yl)anisole hydrochloride; 1-(3-Methoxyphenyl)cyclopropan-1-amine hydrochloride

Database IDs

• PubChem SID: 162104623
• PubChem CID: 45789921

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6598698
• LogD (pH = 7.4): -0.7424527
• Log P: 1.3306762
• Molar Refractivity: 48.0954 cm^3
• Polarizability: 19.173988 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant