1-[4-(4-fluorophenyl)phenyl]ethan-1-amine hydrochloride

• ChemBase ID: 245840
• Molecular Formular: C14H15ClFN
• Molecular Mass: 251.7270032
• Monoisotopic Mass: 251.08770539
• SMILES: c1(c2ccc(cc2)F)ccc(cc1)C(N)C.Cl
• Canonical SMILES: Fc1ccc(cc1)c1ccc(cc1)C(N)C.Cl
• InChI: InChI=1S/C14H14FN.ClH/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;/h2-10H,16H2,1H3;1H
• InChIKey: GGFDDAIUUBFEES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(4-fluorophenyl)phenyl]ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-[4-(4-fluorophenyl)phenyl]ethanamine hydrochloride
• Synonyms: 1-[4-(4-fluorophenyl)phenyl]ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD23144159
• PubChem SID: 164301750
• PubChem CID: 71757810

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.30035925
• LogD (pH = 7.4): 1.068742
• Log P: 3.3055165
• Molar Refractivity: 64.3028 cm^3
• Polarizability: 26.189798 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 3.434

Product Information

• Purity: 95%