[1-(2-methoxyphenyl)cyclopropyl]methanamine

• ChemBase ID: 76966
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: NCC1(c2ccccc2OC)CC1
• Canonical SMILES: NCC1(CC1)c1ccccc1OC
• InChI: InChI=1S/C11H15NO/c1-13-10-5-3-2-4-9(10)11(8-12)6-7-11/h2-5H,6-8,12H2,1H3
• InChIKey: DSYOQJSRKVKSHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyphenyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(2-methoxyphenyl)cyclopropyl]methanamine
• Synonyms: [1-(2-methoxyphenyl)cyclopropyl]methanamine; [1-(2-Methoxyphenyl)cyclopropyl]methylamine

Database IDs

• CAS Number: 886365-72-6
• MDL Number: MFCD07374422
• PubChem SID: 162041865
• PubChem CID: 15611181

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4691892
• LogD (pH = 7.4): -0.4611304
• Log P: 1.509252
• Molar Refractivity: 52.8171 cm^3
• Polarizability: 20.943222 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.786

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 98%