IUPAC name
3-[(1-phenylpropan-2-yl)amino]propanenitrile
SMILES
CC(CC1=CC=CC=C1)NCCC#N
Compound class
Therapeutic area
Fenproporex is used as an appetite suppressant, and anti-obesity agent [2]; however, due to substance abuse potential, it is an illicit substance in many countries. In some countries, such as Brazil, it is still prescribed -- often in the form of diet pills (ie. Brazilian Diet Pills) which combine amphetamines, benzodiazepines, antidepressants, diuretics and laxatives.
Common name
Fenproporex
IUPAC name
3-[(1-phenylpropan-2-yl)amino]propanenitrile
SMILES
CC(CC1=CC=CC=C1)NCCC#N
INCHI
InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3
FORMULA
C12H16N2
Common name
Fenproporex
IUPAC name
3-[(1-phenylpropan-2-yl)amino]propanenitrile
Molecular weight
188.269
clogP
2.607
clogS
-3.430
HBond Acceptor
1
HBond Donor
1
Total Polar Surface Area
35.82
Number of Rings
1
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00193 | propylbenzene |
|
C(c1ccccc1)CC | 0.0186 |
| FDBF00208 | propan-2-amine |
|
CC(N)C | 0.0210 |
| FDBF00569 | acetonitrile |
|
CC#N | 0.0161 |
| FDBF01513 | propanenitrile |
|
C(C#N)C | 0.0048 |
| FDBF01938 | (2S)-N-methyl-1-phenyl-propan-2-amine |
|
c1(ccccc1)CC(C)NC | 0.0014 |
| FDBF02711 | (2S)-1-phenylpropan-2-amine |
|
C(C)(Cc1ccccc1)N | 0.0010 |
13 ,
2
