Common name
1-(4-chlorophenyl)-N-methyl-methanamine
IUPAC name
1-(4-chlorophenyl)-N-methyl-methanamine
SMILES
C(c1ccc(cc1)Cl)NC
Common name
1-(4-chlorophenyl)-N-methyl-methanamine
IUPAC name
1-(4-chlorophenyl)-N-methyl-methanamine
SMILES
C(c1ccc(cc1)Cl)NC
INCHI
InChI=1S/C8H10ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
FORMULA
C8H10ClN
Common name
1-(4-chlorophenyl)-N-methyl-methanamine
IUPAC name
1-(4-chlorophenyl)-N-methyl-methanamine
Molecular weight
155.625
clogP
2.472
clogS
-3.237
Frequency
0.0003
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01518 | Chloropyramine |
|
Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Antihistamines for Systemic Use; Substituted Ethylene Diamines; | For the treatment of allergic conjunctivitis, allergic rhinitis, bronchial asthma, and other atopic (allergic) conditions. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pzo_ligand_3_1.mol2 | 1pzo | 1 | -6.53 | [NH2+](Cc1ccc(Cl)cc1)C | 10 |
| 1pzo_ligand_3_8.mol2 | 1pzo | 1 | -5.64 | [NH2+](C)Cc1ccc(Cl)cc1 | 10 |
| 3ipq_ligand_4_645.mol2 | 3ipq | 0.857143 | -6.82 | c1(ccccc1Cl)C[NH+](C)C | 11 |
185 ,
19
