Structure

InChI Key UNAANXDKBXWMLN-UHFFFAOYSA-N
Smile CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChI
InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H26ClN
Molecular Weight 279.86
AlogP 4.74
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Primary Target
DAT
NET

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 106650-56-0
ChEBI 9137
ChEMBL CHEMBL1419
DrugBank DB01105
DrugCentral 2440
EPA CompTox DTXSID1023578
FDA SRS WV5EC51866
Human Metabolome Database HMDB0015237
Guide to Pharmacology 2586
KEGG C07247
PharmGKB PA451344
PubChem 5210
SureChEMBL SCHEMBL2955