
IUPAC name
ethyl[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine
SMILES
CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F
Compound class
Serotonin Uptake Inhibitors; Anti-Obesity Agents; Serotonin Receptor Agonists; Alimentary Tract and Metabolism; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong);
Therapeutic area
For the management of obesity including weight loss and maintenance of weight loss in patients on a reduced calorie diet.
Common name
Dexfenfluramine
IUPAC name
ethyl[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine
SMILES
CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F
INCHI
InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1
FORMULA
C12H16F3N

Common name
Dexfenfluramine
IUPAC name
ethyl[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine
Molecular weight
231.257
clogP
3.802
clogS
-4.370
HBond Acceptor
0
HBond Donor
1
Total Polar Surface Area
12.03
Number of Rings
1
Rotatable Bond
5
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00005 | benzene |
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c1ccccc1 | 0.2824 |
FDBF00007 | propane |
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C(C)C | 0.2412 |
FDBF00040 | ethanamine |
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CCN | 0.0677 |
FDBF00070 | N-ethylethanamine |
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N(CC)CC | 0.0240 |
FDBF00177 | fluoroform |
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FC(F)F | 0.0704 |
FDBF00193 | propylbenzene |
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C(c1ccccc1)CC | 0.0186 |
FDBF00208 | propan-2-amine |
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CC(N)C | 0.0210 |
FDBF00243 | N-ethylpropan-2-amine |
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C(C)(C)NCC | 0.0045 |
FDBF02711 | (2S)-1-phenylpropan-2-amine |
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C(C)(Cc1ccccc1)N | 0.0010 |