A1I12
Summary
| Name: | [4-(aminomethyl)phenyl]-pyrrolidin-1-yl-methanone |
| Formula: | C12 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 204.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [4-(aminomethyl)phenyl]-pyrrolidin-1-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H16N2O/c13-9-10-3-5-11(6-4-10)12(15)14-7-1-2-8-14/h3-6H,1-2,7-9,13H2 |
| InChIKey | InChI | 1.06 | PNVVNCBOVQVCIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(cc1)C(=O)N2CCCC2 |
| SMILES | CACTVS | 3.385 | NCc1ccc(cc1)C(=O)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN)C(=O)N2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN)C(=O)N2CCCC2 |
