[3-(cyclopentyloxy)-4-methoxyphenyl]methanamine

• ChemBase ID: 270284
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: c1(OC2CCCC2)c(ccc(c1)CN)OC
• Canonical SMILES: NCc1ccc(c(c1)OC1CCCC1)OC
• InChI: InChI=1S/C13H19NO2/c1-15-12-7-6-10(9-14)8-13(12)16-11-4-2-3-5-11/h6-8,11H,2-5,9,14H2,1H3
• InChIKey: LQAZTPLKCKECMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(cyclopentyloxy)-4-methoxyphenyl]methanamine
• IUPAC Traditional name: [3-(cyclopentyloxy)-4-methoxyphenyl]methanamine
• Synonyms: [3-(cyclopentyloxy)-4-methoxyphenyl]methanamine

Database IDs

• MDL Number: MFCD06213467
• PubChem SID: 164326194
• PubChem CID: 11148749

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.841705
• LogD (pH = 7.4): 0.15530503
• Log P: 2.1383736
• Molar Refractivity: 63.871 cm^3
• Polarizability: 25.367138 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.224

Product Information

• Purity: 95%