cyclopentyl(3-fluorophenyl)methanamine

• ChemBase ID: 237430
• Molecular Formular: C12H16FN
• Molecular Mass: 193.2605432
• Monoisotopic Mass: 193.12667774
• SMILES: c1(C(C2CCCC2)N)cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)C(C1CCCC1)N
• InChI: InChI=1S/C12H16FN/c13-11-7-3-6-10(8-11)12(14)9-4-1-2-5-9/h3,6-9,12H,1-2,4-5,14H2
• InChIKey: SEVSBNYOVVORBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl(3-fluorophenyl)methanamine
• IUPAC Traditional name: cyclopentyl(3-fluorophenyl)methanamine
• Synonyms: cyclopentyl(3-fluorophenyl)methanamine

Database IDs

• MDL Number: MFCD12153857
• PubChem SID: 164293340
• PubChem CID: 60818614

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.029686369
• LogD (pH = 7.4): 0.7884585
• Log P: 2.9711978
• Molar Refractivity: 55.562 cm^3
• Polarizability: 21.81951 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%