Structure

InChI Key VOBHXZCDAVEXEY-JSGCOSHPSA-N
Smile C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN
InChI
InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H25N3O
Molecular Weight 263.38
AlogP 1.19
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 81.14
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Attention Deficit Disorder with Hyperactivity 4 D001289 ClinicalTrials
Bipolar Disorder 3 D001714 ClinicalTrials
Feeding and Eating Disorders 3 D001068 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Multiple Sclerosis 2 D009103 ClinicalTrials
Amphetamine-Related Disorders 1 D019969 ClinicalTrials

Related Entries

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 608137-32-2
ChEBI 135925
ChEMBL CHEMBL1201222
DrugBank DB01255
DrugCentral 4135
EPA CompTox DTXSID00209652
FDA SRS H645GUL8KJ
Human Metabolome Database HMDB0015385
Guide to Pharmacology 7213
PubChem 11597698
SureChEMBL SCHEMBL158949
ZINC ZINC000011680943