N-[(3-methoxyphenyl)methyl]cyclopropanamine

• ChemBase ID: 312360
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C1(CC1)NCc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CNC1CC1
• InChI: InChI=1S/C11H15NO/c1-13-11-4-2-3-9(7-11)8-12-10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3
• InChIKey: NUPAMNLYORQZRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methoxyphenyl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(3-methoxyphenyl)methyl]cyclopropanamine
• Synonyms: N-(3-methoxybenzyl)cyclopropanamine

Database IDs

• CAS Number: 625437-31-2
• MDL Number: MFCD07409182

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2928269
• LogD (pH = 7.4): -0.030795965
• Log P: 1.8394879
• Molar Refractivity: 52.9804 cm^3
• Polarizability: 21.020601 Å^3
• Polar Surface Area: 21.26 Å^2