N-[(4-ethoxyphenyl)methyl]cyclopropanamine

• ChemBase ID: 312395
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C1(CC1)NCc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CNC1CC1
• InChI: InChI=1S/C12H17NO/c1-2-14-12-7-3-10(4-8-12)9-13-11-5-6-11/h3-4,7-8,11,13H,2,5-6,9H2,1H3
• InChIKey: GCBCRSKQQBITOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethoxyphenyl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(4-ethoxyphenyl)methyl]cyclopropanamine
• Synonyms: N-(4-ethoxybenzyl)cyclopropanamine

Database IDs

• CAS Number: 892571-13-0
• MDL Number: MFCD07408581

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9507673
• LogD (pH = 7.4): 0.25967
• Log P: 2.196296
• Molar Refractivity: 57.729 cm^3
• Polarizability: 22.86628 Å^3
• Polar Surface Area: 21.26 Å^2