1-(4-fluorophenyl)ethan-1-amine hydrochloride

• ChemBase ID: 271010
• Molecular Formular: C8H11ClFN
• Molecular Mass: 175.6310432
• Monoisotopic Mass: 175.05640526
• SMILES: c1(ccc(cc1)F)C(N)C.Cl
• Canonical SMILES: CC(c1ccc(cc1)F)N.Cl
• InChI: InChI=1S/C8H10FN.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-6H,10H2,1H3;1H
• InChIKey: MBYCTXPTBWSAMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14155657
• PubChem SID: 164326920
• PubChem CID: 18334190

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3438475
• LogD (pH = 7.4): -0.53967154
• Log P: 1.6582912
• Molar Refractivity: 39.1666 cm^3
• Polarizability: 15.18051 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193 - 195°C
• Hydrophobicity(logP): 1.546

Product Information

• Purity: 95%