IUPAC name
1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
SMILES
CN(C)CCC(O)(C1=CC=CC=C1)C1=CC=CC=C1Cl
Compound class
Histamine Antagonists; Cough and Cold Preparations; Respiratory System;
Therapeutic area
Used in the treatment of dry cough.
Common name
Clofedanol
IUPAC name
1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
SMILES
CN(C)CCC(O)(C1=CC=CC=C1)C1=CC=CC=C1Cl
INCHI
InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
FORMULA
C17H20ClNO
Common name
Clofedanol
IUPAC name
1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
Molecular weight
289.800
clogP
3.791
clogS
-4.556
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
23.47
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF01063 | (1S)-1-phenylethanol |
|
c1(ccccc1)C(C)O | 0.0031 |
| FDBF01854 | (1S)-1-phenylpropan-1-ol |
|
CCC(c1ccccc1)O | 0.0017 |
| FDBF02765 | 3-(dimethylamino)propan-1-ol |
|
C(CO)CN(C)C | 0.0014 |
| FDBF03177 | (1R)-1-(2-chlorophenyl)ethanol |
|
Clc1c(cccc1)C(O)C | 0.0003 |
| FDBF03178 | (1R)-1-(2-chlorophenyl)propan-1-ol |
|
Clc1c(cccc1)C(O)CC | 0.0003 |
11 ,
2
