N-[2-(2-fluorophenyl)ethyl]cyclopentanamine

• ChemBase ID: 255573
• Molecular Formular: C13H18FN
• Molecular Mass: 207.2871232
• Monoisotopic Mass: 207.1423278
• SMILES: c1(c(CCNC2CCCC2)cccc1)F
• Canonical SMILES: Fc1ccccc1CCNC1CCCC1
• InChI: InChI=1S/C13H18FN/c14-13-8-4-1-5-11(13)9-10-15-12-6-2-3-7-12/h1,4-5,8,12,15H,2-3,6-7,9-10H2
• InChIKey: KRZBHEWQBVWPBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-fluorophenyl)ethyl]cyclopentanamine
• IUPAC Traditional name: N-[2-(2-fluorophenyl)ethyl]cyclopentanamine
• Synonyms: N-[2-(2-fluorophenyl)ethyl]cyclopentanamine

Database IDs

• MDL Number: MFCD11143328
• PubChem SID: 164311483
• PubChem CID: 28449704

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.08966225
• LogD (pH = 7.4): 0.63230765
• Log P: 3.3176596
• Molar Refractivity: 60.6906 cm^3
• Polarizability: 23.58988 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.194

Product Information

• Purity: 95%