IUPAC name
benzyl(methyl)(prop-2-yn-1-yl)amine
SMILES
CN(CC#C)CC1=CC=CC=C1
Compound class
Antihypertensive Agents; Monoamine Oxidase Inhibitors; Cardiovascular System; MAO Inhibitors and Diuretics;
Therapeutic area
For the treatment of moderate to severe hypertension.
Common name
Pargyline
IUPAC name
benzyl(methyl)(prop-2-yn-1-yl)amine
SMILES
CN(CC#C)CC1=CC=CC=C1
INCHI
InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
FORMULA
C11H13N
Common name
Pargyline
IUPAC name
benzyl(methyl)(prop-2-yn-1-yl)amine
Molecular weight
159.228
clogP
2.266
clogS
-2.244
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
3.24
Number of Rings
1
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF01425 | N-methyl-1-phenyl-methanamine |
|
N(C)Cc1ccccc1 | 0.0045 |
| FDBF01426 | N,N-dimethyl-1-phenyl-methanamine |
|
N(C)(C)Cc1ccccc1 | 0.0014 |
| FDBF01877 | prop-1-yne |
|
C#CC | 0.0082 |
| FDBF02317 | N-methylprop-2-yn-1-amine |
|
N(C)CC#C | 0.0010 |
| FDBF03125 | N,N-dimethylprop-2-yn-1-amine |
|
C(#C)CN(C)C | 0.0003 |
9 ,
1
