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

• ChemBase ID: 274396
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: c1(OC2CCCC2)c(CN)cccc1OC
• Canonical SMILES: NCc1cccc(c1OC1CCCC1)OC
• InChI: InChI=1S/C13H19NO2/c1-15-12-8-4-5-10(9-14)13(12)16-11-6-2-3-7-11/h4-5,8,11H,2-3,6-7,9,14H2,1H3
• InChIKey: JCPWWJQXMDKTAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclopentyloxy)-3-methoxyphenyl]methanamine
• IUPAC Traditional name: [2-(cyclopentyloxy)-3-methoxyphenyl]methanamine
• Synonyms: [2-(cyclopentyloxy)-3-methoxyphenyl]methanamine

Database IDs

• MDL Number: MFCD12177214
• PubChem SID: 164330306
• PubChem CID: 43471488

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.73942596
• LogD (pH = 7.4): 0.6382098
• Log P: 2.1383736
• Molar Refractivity: 63.871 cm^3
• Polarizability: 25.367376 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%