1-fluoro-3-phenylpropan-2-amine

• ChemBase ID: 169235
• Molecular Formular: C9H12FN
• Molecular Mass: 153.1966832
• Monoisotopic Mass: 153.09537761
• SMILES: c1ccccc1CC(CF)N
• Canonical SMILES: FCC(Cc1ccccc1)N
• InChI: InChI=1S/C9H12FN/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2
• InChIKey: DRCPTTFLGZCUKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-3-phenylpropan-2-amine
• IUPAC Traditional name: 1-fluoro-3-phenylpropan-2-amine
• Synonyms: α-(Fluoromethyl)benzeneethanamine; (+/-)-α-(Fluoromethyl)benzeneethanamine; 1-Fluoro-3-phenylpropan-2-amine

Database IDs

• CAS Number: 70824-86-1
• PubChem SID: 162263367
• PubChem CID: 5064599

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.174162
• LogD (pH = 7.4): 0.30013132
• Log P: 1.6484323
• Molar Refractivity: 43.5568 cm^3
• Polarizability: 16.976973 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane
• Apperance: Colourless Oil

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 98%

DETAILS

Toronto Research Chemicals - F595745

Fluorinated amphetamines: effects on release of putative neurotransmitter amines in the striatum of the rat. An analog of Amphetamine.

REFERENCES

• Danielson, T.J., et al.: Biochem. Pharmacol., 35, 4423 (1986)