| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:41 UTC |
|---|
| Update Date | 2025-03-21 18:34:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00099698 |
|---|
| Frequency | 27.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H19ClN2O |
|---|
| Molecular Mass | 290.1186 |
|---|
| SMILES | CN(CCCC(O)c1cccnc1)c1ccc(Cl)cc1 |
|---|
| InChI Key | XMFURDKXXQQRAY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic nitrogen compounds |
|---|
| Class | organonitrogen compounds |
|---|
| Subclass | amines |
|---|
| Direct Parent | dialkylarylamines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aniline and substituted anilinesaromatic alcoholsaryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganochloridesorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundorganochlorideorganohalogen compoundorganopnictogen compounddialkylarylamineorganoheterocyclic compoundaryl chloridechlorobenzenealcoholazacycleaniline or substituted anilinesheteroaromatic compoundhydroxypyridinemethylpyridinearyl halidepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
|---|
