N-[(2,5-difluorophenyl)methyl]cyclopentanamine

• ChemBase ID: 235892
• Molecular Formular: C12H15F2N
• Molecular Mass: 211.2510064
• Monoisotopic Mass: 211.11725593
• SMILES: c1(c(ccc(c1)F)F)CNC1CCCC1
• Canonical SMILES: Fc1ccc(cc1CNC1CCCC1)F
• InChI: InChI=1S/C12H15F2N/c13-10-5-6-12(14)9(7-10)8-15-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2
• InChIKey: LYQFNXDPPBYZDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,5-difluorophenyl)methyl]cyclopentanamine
• IUPAC Traditional name: N-[(2,5-difluorophenyl)methyl]cyclopentanamine
• Synonyms: N-[(2,5-difluorophenyl)methyl]cyclopentanamine

Database IDs

• MDL Number: MFCD11639639
• PubChem SID: 164291802
• PubChem CID: 43312517

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.1158024
• LogD (pH = 7.4): 1.558095
• Log P: 3.1717005
• Molar Refractivity: 56.152 cm^3
• Polarizability: 21.498186 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.268

Product Information

• Purity: 95%