EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H19N3O |
| Net Charge | 0 |
| Average Mass | 281.359 |
| Monoisotopic Mass | 281.15281 |
| SMILES | Cc1ccc(N(CC2=NCCN2)c2ccc(O)cc2)cc1 |
| InChI | InChI=1S/C17H19N3O/c1-13-2-4-14(5-3-13)20(12-17-18-10-11-19-17)15-6-8-16(21)9-7-15/h2-9,21H,10-12H2,1H3,(H,18,19) |
| InChIKey | LBXLJKWLYGGOTD-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol (CHEBI:94539) is a aromatic amine (CHEBI:33860) |
| 4-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol (CHEBI:94539) is a tertiary amino compound (CHEBI:50996) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5372 | LINCS |