F91
Summary
| Name: | N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine |
| Formula: | C14 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine |
| OpenEye OEToolkits | 1.7.0 | N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O1c2c(OCC1)cc(cc2)NCc3ccncc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | C1COc2cc(NCc3ccncc3)ccc2O1 |
| SMILES | CACTVS | 3.370 | C1COc2cc(NCc3ccncc3)ccc2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1NCc3ccncc3)OCCO2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1NCc3ccncc3)OCCO2 |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O2/c1-2-13-14(18-8-7-17-13)9-12(1)16-10-11-3-5-15-6-4-11/h1-6,9,16H,7-8,10H2 |
| InChIKey | InChI | 1.03 | ZEHRBOVXNPCYAK-UHFFFAOYSA-N |
