IUPAC name
1,3-dimethyl-7-{2-[(1-phenylpropan-2-yl)amino]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrochloride
SMILES
Cl.CC(CC1=CC=CC=C1)NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C
Compound class
Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics;
Therapeutic area
Common name
Fenethylline
IUPAC name
1,3-dimethyl-7-{2-[(1-phenylpropan-2-yl)amino]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrochloride
SMILES
Cl.CC(CC1=CC=CC=C1)NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C
INCHI
InChI=1S/C18H23N5O2.ClH/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2;/h4-8,12-13,19H,9-11H2,1-3H3;1H
FORMULA
C18H24ClN5O2
Common name
Fenethylline
IUPAC name
1,3-dimethyl-7-{2-[(1-phenylpropan-2-yl)amino]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrochloride
Molecular weight
341.408
clogP
1.463
clogS
-3.556
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
73.85
Number of Rings
3
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 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF00193 | propylbenzene |
|
C(c1ccccc1)CC | 0.0186 |
| FDBF00208 | propan-2-amine |
|
CC(N)C | 0.0210 |
| FDBF00243 | N-ethylpropan-2-amine |
|
C(C)(C)NCC | 0.0045 |
| 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 |
12 ,
2
