IUPAC name
dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
SMILES
CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1
Compound class
Histamine H1 Antagonists; Antiemetics; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use;
Therapeutic area
Used alone as a short-term sleep aid, in combination with other drugs as a night-time cold and allergy relief drug. Also used in combination with Vitamin B6 (pyridoxine) to prevent morning sickness in pregnant women.
Common name
Doxylamine
IUPAC name
dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
SMILES
CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1
INCHI
InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
FORMULA
C17H22N2O
Common name
Doxylamine
IUPAC name
dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
Molecular weight
270.369
clogP
3.125
clogS
-4.277
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
25.36
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF00168 | methoxyethane |
|
CCOC | 0.0254 |
| FDBF00309 | (1R)-1-phenylethanol |
|
CC(O)c1ccccc1 | 0.0034 |
| FDBF00605 | [(1R)-1-methoxyethyl]benzene |
|
O(C(C)c1ccccc1)C | 0.0010 |
| FDBF00798 | (1S)-1-(2-pyridyl)ethanol |
|
C(C)(c1ncccc1)O | 0.0003 |
| FDBF00801 | 2-[(1S)-1-ethoxyethyl]pyridine |
|
C(C)(c1ncccc1)OCC | 0.0003 |
18 ,
2
