N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine

• ChemBase ID: 310826
• Molecular Formular: C14H21NO2
• Molecular Mass: 235.32204
• Monoisotopic Mass: 235.15722892
• SMILES: c1(c(ccc(c1)OC)OC)CNC1CCCC1
• Canonical SMILES: COc1ccc(cc1CNC1CCCC1)OC
• InChI: InChI=1S/C14H21NO2/c1-16-13-7-8-14(17-2)11(9-13)10-15-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3
• InChIKey: PPACRXFSJKTUSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
• IUPAC Traditional name: N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
• Synonyms: N-(2,5-dimethoxybenzyl)cyclopentanamine

Database IDs

• CAS Number: 355814-38-9
• MDL Number: MFCD00980846

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.55853045
• LogD (pH = 7.4): 0.7125272
• Log P: 2.570954
• Molar Refractivity: 68.6456 cm^3
• Polarizability: 27.209017 Å^3
• Polar Surface Area: 30.49 Å^2