N-[2-(3-fluorophenyl)ethyl]cyclopropanamine hydrochloride

• ChemBase ID: 274637
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: C1(CC1)NCCc1cc(F)ccc1.Cl
• Canonical SMILES: Fc1cccc(c1)CCNC1CC1.Cl
• InChI: InChI=1S/C11H14FN.ClH/c12-10-3-1-2-9(8-10)6-7-13-11-4-5-11;/h1-3,8,11,13H,4-7H2;1H
• InChIKey: JLLQNBYNZVEOGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-fluorophenyl)ethyl]cyclopropanamine hydrochloride
• IUPAC Traditional name: N-[2-(3-fluorophenyl)ethyl]cyclopropanamine hydrochloride
• Synonyms: N-[2-(3-fluorophenyl)ethyl]cyclopropanamine hydrochloride

Database IDs

• MDL Number: MFCD18838921
• PubChem SID: 164330547
• PubChem CID: 54593294

CALCULATED PROPERTIES

• LogD (pH = 5.5): -0.77478117
• LogD (pH = 7.4): 0.10953209
• Log P: 2.4285223
• Molar Refractivity: 51.4886 cm^3
• Polarizability: 19.903105 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Physical Property

• Melting Point: 153 - 155°C
• Hydrophobicity(logP): 2.306

Product Information

• Purity: 95%