A1CFE
Summary
| Name: | (S)-1-(4-methoxyphenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine |
| Formula: | C12 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 217.267 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (S)-1-(4-methoxyphenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine |
| OpenEye OEToolkits | 3.1.0.0 | (~{S})-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(c1ccc(OC)cc1)c1nccn1C |
| InChI | InChI | 1.06 | InChI=1S/C12H15N3O/c1-15-8-7-14-12(15)11(13)9-3-5-10(16-2)6-4-9/h3-8,11H,13H2,1-2H3/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | NGFVORJRIAJDAY-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@H](N)c2nccn2C |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[CH](N)c2nccn2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1ccnc1[C@H](c2ccc(cc2)OC)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1ccnc1C(c2ccc(cc2)OC)N |
