N-[1-(2-fluorophenyl)ethyl]cyclopropanamine hydrochloride

• ChemBase ID: 259898
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: c1(C(NC2CC2)C)c(F)cccc1.Cl
• Canonical SMILES: CC(c1ccccc1F)NC1CC1.Cl
• InChI: InChI=1S/C11H14FN.ClH/c1-8(13-9-6-7-9)10-4-2-3-5-11(10)12;/h2-5,8-9,13H,6-7H2,1H3;1H
• InChIKey: NSBGFOOMLWYHPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-fluorophenyl)ethyl]cyclopropanamine hydrochloride
• IUPAC Traditional name: N-[1-(2-fluorophenyl)ethyl]cyclopropanamine hydrochloride
• Synonyms: N-[1-(2-fluorophenyl)ethyl]cyclopropanamine hydrochloride

Database IDs

• MDL Number: MFCD12197062
• PubChem SID: 164315808
• PubChem CID: 42937395

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3716929
• LogD (pH = 7.4): 1.2249224
• Log P: 2.556436
• Molar Refractivity: 51.1524 cm^3
• Polarizability: 19.976742 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 2.316

Product Information

• Purity: 95%