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Basic Information
CAS No.: 459-02-9
Name: 1-(4-Fluorophenyl)propane-2-amine
Article Data: 10
Molecular Structure:
Molecular Structure of 459-02-9 (1-(4-Fluorophenyl)propane-2-amine)
Formula: C9H12FN
Molecular Weight: 153.199
Synonyms: Phenethylamine,p-fluoro-a-methyl- (7CI,8CI);p-Fluoroamphetamine;Benzeneethanamine,4-fluoro-a-methyl-;4-FA;
EINECS: 207-295-7
Density: 1.042 g/cm3
Boiling Point: 215.2 °C at 760 mmHg
Flash Point: 93.6 °C
Appearance: White powder
PSA: 26.02000
LogP: 2.41570
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The IUPAC name of 4-Fluoro-alpha-methylphenethylamine is 1-(4-fluorophenyl)propan-2-amine. With the CAS registry number 459-02-9, it is also named as Benzeneethanamine, p-fluoro-alpha-methyl- (9CI). The classification code is Drug / Therapeutic Agent. It is a psychoactive drug and research chemical of the phenethylamine and amphetamine chemical classes. Additioanlly, it was banned in Lithuania in July 2009. And it will be banned in Switzerland the 1st December 2010.

The other characteristics of 1-(4-Fluorophenyl)propane-2-amine can be summarized as: 
(1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.22; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.509; (13)Molar Refractivity: 43.92 cm3; (14)Molar Volume: 147 cm3; (15)Polarizability: 17.41×10-24 cm3; (16)Surface Tension: 34.8 dyne/cm; (17)Enthalpy of Vaporization: 45.15 kJ/mol; (18)Vapour Pressure: 0.15 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 153.095378; (21)MonoIsotopic Mass: 153.095378; (22)Topological Polar Surface Area: 26; (23)Heavy Atom Count: 11; (24)Complexity: 108.

Preparation of 1-(4-Fluorophenyl)propane-2-amine:
It can be obtained by 1-(4-fluorophenyl)-2-nitropropene. This reaction needs reagent LiAlH4 and solvent tetrahydrofuran at ambient temperature. The reaction time is 4.0 hours. The yield is 52%. 

Uses of 1-(4-Fluorophenyl)propane-2-amine:
It can produce stimulant and possibly entactogenic effects. It is also a potent stimulant and serotonin releaser as with other para-substituted amphetamine derivatives, but is both significantly less potent as a serotonin releaser and much less neurotoxic than related compounds. In addition, this chemical can react with 3-bromo-propyne to get (R,S)-(+/-)-a-methyl-b-(4-fluorophenyl)-N-propynylethylamine. This reaction needs reagent K2CO3 and solvent acetonitrile, toluene and H2O. The yield is 62%.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1ccc(cc1)CC(N)C
2. InChI:InChI=1/C9H12FN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3

The following are the toxicity data of 1-(4-Fluorophenyl)propane-2-amine:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 46mg/kg (46mg/kg)   "International Symposium on Amphetamines and Related Compounds, Proceedings, Mario Negri Institute for Pharmacological Research, Milan, 1969," Costa, E., and S. Garattini, eds., New York, Raven Press, 1970Vol. -, Pg. 21, 1970.