Structure

InChI Key VDANGULDQQJODZ-UHFFFAOYSA-N
Smile CCN(CC)CCOC(=O)c1ccc(N)cc1Cl
InChI
InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19ClN2O2
Molecular Weight 270.76
AlogP 2.42
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 55.56
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 3 D010146 ClinicalTrials
Cataract 3 D002386 ClinicalTrials
Pregnancy 2 D011247 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 133-16-4
ChEBI 3636
ChEMBL CHEMBL1179047
DrugBank DB01161
DrugCentral 605
EPA CompTox DTXSID8022799
FDA SRS 5YVB0POT2H
Human Metabolome Database HMDB0015292
Guide to Pharmacology 7145
KEGG C07877
PharmGKB PA448946
PubChem 8612
SureChEMBL SCHEMBL6676
ZINC ZINC000001530938