N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclohexanamine

• ChemBase ID: 311030
• Molecular Formular: C16H25NO2
• Molecular Mass: 263.3752
• Monoisotopic Mass: 263.18852905
• SMILES: c1(c(ccc(c1)CNC1CCCCC1)OC)OCC
• Canonical SMILES: CCOc1cc(CNC2CCCCC2)ccc1OC
• InChI: InChI=1S/C16H25NO2/c1-3-19-16-11-13(9-10-15(16)18-2)12-17-14-7-5-4-6-8-14/h9-11,14,17H,3-8,12H2,1-2H3
• InChIKey: YLNHVEHXYXVMFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclohexanamine
• IUPAC Traditional name: N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclohexanamine
• Synonyms: N-(3-ethoxy-4-methoxybenzyl)cyclohexanamine

Database IDs

• CAS Number: 355817-14-0
• MDL Number: MFCD01135086

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.16089538
• LogD (pH = 7.4): 0.96134734
• Log P: 3.3723307
• Molar Refractivity: 77.9952 cm^3
• Polarizability: 30.899824 Å^3
• Polar Surface Area: 30.49 Å^2