cyclopentyl(2-fluorophenyl)methanamine

• ChemBase ID: 236718
• Molecular Formular: C12H16FN
• Molecular Mass: 193.2605432
• Monoisotopic Mass: 193.12667774
• SMILES: c1(C(C2CCCC2)N)c(F)cccc1
• Canonical SMILES: NC(c1ccccc1F)C1CCCC1
• InChI: InChI=1S/C12H16FN/c13-11-8-4-3-7-10(11)12(14)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6,14H2
• InChIKey: AVWCONKYUKOBNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl(2-fluorophenyl)methanamine
• IUPAC Traditional name: cyclopentyl(2-fluorophenyl)methanamine
• Synonyms: cyclopentyl(2-fluorophenyl)methanamine

Database IDs

• MDL Number: MFCD16303686
• PubChem SID: 164292628
• PubChem CID: 62501124

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -6.952775E-4
• LogD (pH = 7.4): 1.0484911
• Log P: 2.9711978
• Molar Refractivity: 55.562 cm^3
• Polarizability: 21.819365 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.108

Product Information

• Purity: 95%