cyclopentyl(2,4-difluorophenyl)methanamine

• ChemBase ID: 284964
• Molecular Formular: C12H15F2N
• Molecular Mass: 211.2510064
• Monoisotopic Mass: 211.11725593
• SMILES: c1(c(cc(cc1)F)F)C(C1CCCC1)N
• Canonical SMILES: Fc1ccc(c(c1)F)C(C1CCCC1)N
• InChI: InChI=1S/C12H15F2N/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8,12H,1-4,15H2
• InChIKey: STRHHDZYNRAYGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl(2,4-difluorophenyl)methanamine
• IUPAC Traditional name: cyclopentyl(2,4-difluorophenyl)methanamine
• Synonyms: cyclopentyl(2,4-difluorophenyl)methanamine

Database IDs

• MDL Number: MFCD11148441
• PubChem SID: 180670495
• PubChem CID: 43197749

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.15024042
• LogD (pH = 7.4): 1.2452704
• Log P: 3.1138997
• Molar Refractivity: 55.7784 cm^3
• Polarizability: 21.497314 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.251

Product Information

• Purity: 95%