Common name
N-methyl-N-propyl-aniline
IUPAC name
N-methyl-N-propyl-aniline
SMILES
CCCN(c1ccccc1)C
Common name
N-methyl-N-propyl-aniline
IUPAC name
N-methyl-N-propyl-aniline
SMILES
CCCN(c1ccccc1)C
INCHI
InChI=1S/C10H15N/c1-3-9-11(2)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
FORMULA
C10H15N
Common name
N-methyl-N-propyl-aniline
IUPAC name
N-methyl-N-propyl-aniline
Molecular weight
149.233
clogP
2.078
clogS
-2.541
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01088 | Bepridil |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, and chronic stable angina (classic effort-associated angina). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lxf_ligand_5_75.mol2 | 1lxf | 1 | -6.88 | C(C)CN(c1ccccc1)C | 11 |
| 1lxf_ligand_4_36.mol2 | 1lxf | 1 | -6.79 | C(C)CNc1ccccc1 | 10 |
| 2g2r_ligand_4_20.mol2 | 2g2r | 1 | -6.57 | CCCN(c1ccccc1)C | 11 |
| 2hh5_ligand_3_210.mol2 | 2hh5 | 1 | -6.27 | C(C)CNc1ccccc1 | 10 |
| 2hhn_ligand_3_210.mol2 | 2hhn | 1 | -6.08 | C(Nc1ccccc1)CC | 10 |
| 4lvt_ligand_4_787.mol2 | 4lvt | 1 | -5.62 | CCCNc1ccccc1 | 10 |
| 4lvt_ligand_5_2336.mol2 | 4lvt | 0.964286 | -5.87 | CC[C@@H](Nc1ccccc1)C | 11 |
| 4lvt_ligand_4_804.mol2 | 4lvt | 0.851852 | -5.91 | c1ccccc1NC(C)C | 10 |
102 ,
11
