(1R)-1-(3-fluorophenyl)ethan-1-amine hydrochloride

• ChemBase ID: 169202
• Molecular Formular: C8H11ClFN
• Molecular Mass: 175.6310432
• Monoisotopic Mass: 175.05640526
• SMILES: c1(cc(F)ccc1)[C@H](N)C.Cl
• Canonical SMILES: Fc1cccc(c1)[C@H](N)C.Cl
• InChI: InChI=1S/C8H10FN.ClH/c1-6(10)7-3-2-4-8(9)5-7;/h2-6H,10H2,1H3;1H/t6-;/m1./s1
• InChIKey: RKALWMOKWLLQMU-FYZOBXCZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(3-fluorophenyl)ethan-1-amine hydrochloride
• IUPAC Traditional name: (1R)-1-(3-fluorophenyl)ethanamine hydrochloride
• Synonyms: (αR)-3-Fluoro-α-methylbenzenemethanamine Hydrochloride; (1R)-1-(3-Fluorophenyl)ethanamine Hydrochloride; (R)-1-(3-Fluorophenyl)ethylamine Hydrochloride

Database IDs

• CAS Number: 321429-49-6
• PubChem SID: 162263334
• PubChem CID: 45072322

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3357925
• LogD (pH = 7.4): -0.4495571
• Log P: 1.6582912
• Molar Refractivity: 39.1666 cm^3
• Polarizability: 15.180493 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - F595555

(R)-1-(3-Fluorophenyl)ethylamine is a fluorinated arylamine used in the preparation of compounds with anticonvulsant activity.

REFERENCES

• Ho, B. et al.: Eur. J. Med. Chem., 36, 265 (2001)