1-(3-fluorophenyl)propan-2-amine hydrochloride

• ChemBase ID: 276484
• Molecular Formular: C9H13ClFN
• Molecular Mass: 189.6576232
• Monoisotopic Mass: 189.07205532
• SMILES: c1(cc(F)ccc1)CC(N)C.Cl
• Canonical SMILES: CC(Cc1cccc(c1)F)N.Cl
• InChI: InChI=1S/C9H12FN.ClH/c1-7(11)5-8-3-2-4-9(10)6-8;/h2-4,6-7H,5,11H2,1H3;1H
• InChIKey: HKAIRPOFLITWEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluorophenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 3-fluoroamphetamine hydrochloride
• Synonyms: 1-(3-fluorophenyl)propan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD19382204
• PubChem SID: 164332394
• PubChem CID: 54594211

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0707059
• LogD (pH = 7.4): -0.4983655
• Log P: 1.9469525
• Molar Refractivity: 43.9216 cm^3
• Polarizability: 16.948175 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140 - 142°C
• Hydrophobicity(logP): 1.885

Product Information

• Purity: 95%