N-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine hydrochloride

• ChemBase ID: 235621
• Molecular Formular: C14H19ClFN
• Molecular Mass: 255.7587632
• Monoisotopic Mass: 255.11900551
• SMILES: C1(NCc2c(F)cccc2)C2CC(C1)CC2.Cl
• Canonical SMILES: Fc1ccccc1CNC1CC2CC1CC2.Cl
• InChI: InChI=1S/C14H18FN.ClH/c15-13-4-2-1-3-12(13)9-16-14-8-10-5-6-11(14)7-10;/h1-4,10-11,14,16H,5-9H2;1H
• InChIKey: SSPXPNBJFYZYDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine hydrochloride
• IUPAC Traditional name: N-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine hydrochloride
• Synonyms: N-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD22196417
• PubChem SID: 164291531
• PubChem CID: 71755547

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.05763947
• LogD (pH = 7.4): 1.2168015
• Log P: 3.2172644
• Molar Refractivity: 63.1536 cm^3
• Polarizability: 24.774889 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 174°C
• Hydrophobicity(logP): 3.959

Product Information

• Purity: 95%