A1C90
Summary
| Name: | 2-(3-aminophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one |
| Formula: | C12 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 220.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(3-aminophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 2-(3-azanylphenoxy)-1-pyrrolidin-1-yl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(COc1cccc(N)c1)N1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H16N2O2/c13-10-4-3-5-11(8-10)16-9-12(15)14-6-1-2-7-14/h3-5,8H,1-2,6-7,9,13H2 |
| InChIKey | InChI | 1.06 | UIQIQMDWGKDTMP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(OCC(=O)N2CCCC2)c1 |
| SMILES | CACTVS | 3.385 | Nc1cccc(OCC(=O)N2CCCC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)OCC(=O)N2CCCC2)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)OCC(=O)N2CCCC2)N |
