2-(4-fluorophenyl)propan-1-amine hydrochloride

• ChemBase ID: 263527
• Molecular Formular: C9H13ClFN
• Molecular Mass: 189.6576232
• Monoisotopic Mass: 189.07205532
• SMILES: c1(ccc(cc1)F)C(CN)C.Cl
• Canonical SMILES: NCC(c1ccc(cc1)F)C.Cl
• InChI: InChI=1S/C9H12FN.ClH/c1-7(6-11)8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H
• InChIKey: XKALCTGXXBGGKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)propan-1-amine hydrochloride
• IUPAC Traditional name: 4-fluoroamphetamine hydrochloride
• Synonyms: 2-(4-fluorophenyl)propan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD13196109
• PubChem SID: 164319437
• PubChem CID: 45792363

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1154597
• LogD (pH = 7.4): -0.4242233
• Log P: 1.8953502
• Molar Refractivity: 43.9744 cm^3
• Polarizability: 16.947113 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.975

Product Information

• Purity: 95%