{1-[4-(difluoromethoxy)-3-methoxyphenyl]cyclopentyl}methanamine

• ChemBase ID: 252174
• Molecular Formular: C14H19F2NO2
• Molecular Mass: 271.3029664
• Monoisotopic Mass: 271.13838529
• SMILES: c1(cc(c(OC(F)F)cc1)OC)C1(CN)CCCC1
• Canonical SMILES: COc1cc(ccc1OC(F)F)C1(CN)CCCC1
• InChI: InChI=1S/C14H19F2NO2/c1-18-12-8-10(4-5-11(12)19-13(15)16)14(9-17)6-2-3-7-14/h4-5,8,13H,2-3,6-7,9,17H2,1H3
• InChIKey: YFFRJLLEJCROBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[4-(difluoromethoxy)-3-methoxyphenyl]cyclopentyl}methanamine
• IUPAC Traditional name: {1-[4-(difluoromethoxy)-3-methoxyphenyl]cyclopentyl}methanamine
• Synonyms: {1-[4-(difluoromethoxy)-3-methoxyphenyl]cyclopentyl}methylamine

Database IDs

• MDL Number: MFCD08691106
• PubChem SID: 164308084
• PubChem CID: 16227112

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.18196714
• LogD (pH = 7.4): 1.13979
• Log P: 3.1674762
• Molar Refractivity: 68.4912 cm^3
• Polarizability: 26.585554 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.089

Product Information

• Purity: 95%