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

• ChemBase ID: 806846
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: C1(CC1)(N)c1c(cccc1)OC
• Canonical SMILES: COc1ccccc1C1(N)CC1
• InChI: InChI=1S/C10H13NO/c1-12-9-5-3-2-4-8(9)10(11)6-7-10/h2-5H,6-7,11H2,1H3
• InChIKey: OLNNGMGXTFSLEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(2-methoxyphenyl)cyclopropan-1-amine
• Synonyms: 1-(2-METHOXYPHENYL)CYCLOPROPANAMINE

Database IDs

• CAS Number: 503417-32-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5905497
• LogD (pH = 7.4): -0.32487065
• Log P: 1.3306762
• Molar Refractivity: 48.0954 cm^3
• Polarizability: 19.17424 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%