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CHEBI:136995 - 3,4-dimethoxyphenylethylamine
| Formula | C10H15NO2 |
| Net Charge | 0 |
| Average Mass | 181.235 |
| Monoisotopic Mass | 181.11028 |
| SMILES | COc1ccc(CCN)cc1OC |
| InChI | InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3 |
| InChIKey | ANOUKFYBOAKOIR-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| 3,4-dimethoxyphenylethylamine (CHEBI:136995) has parent hydride 2-phenylethylamine (CHEBI:18397) |
| 3,4-dimethoxyphenylethylamine (CHEBI:136995) has role allergen (CHEBI:50904) |
| 3,4-dimethoxyphenylethylamine (CHEBI:136995) has role plant metabolite (CHEBI:76924) |
| 3,4-dimethoxyphenylethylamine (CHEBI:136995) is a alkaloid (CHEBI:22315) |
| 3,4-dimethoxyphenylethylamine (CHEBI:136995) is a aromatic ether (CHEBI:35618) |
| 3,4-dimethoxyphenylethylamine (CHEBI:136995) is a phenylethylamine (CHEBI:50048) |
| IUPAC Name |
|---|
| 2-(3,4-dimethoxyphenyl)ethanamine |
| Synonyms | Source |
|---|---|
| 2-(3,4-Dimethoxy-phenyl)-ethylamine | ChEMBL |
| 3,4-Dimethoxybenzeneethanamine | ChemIDplus |
| 3,4-Dimethoxy-beta-phenylethylamine | ChemIDplus |
| 3,4-Dimethoxydopamine | ChemIDplus |
| 3,4-Dimethoxyphenethylamine | ChemIDplus |
| 3,4-Di-O-methyldopamine | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 3,4-dimethoxyphenethylamine | Wikipedia |
| HMDB0041806 | HMDB |
| LSM-5691 | LINCS |
| WO2009086464 | Patent |
| Citations |
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