VXQ
Summary
| Name: | 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine |
| Formula: | C9 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 149.19 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine |
| OpenEye OEToolkits | 1.7.6 | 2,3-dihydro-1-benzofuran-5-ylmethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6,10H2 |
| InChIKey | InChI | 1.03 | WQXWNTPLZFVZNX-UHFFFAOYSA-N |
| SMILES | ACDLabs | 12.01 | O2c1ccc(cc1CC2)CN |
| SMILES_CANONICAL | CACTVS | 3.370 | NCc1ccc2OCCc2c1 |
| SMILES | CACTVS | 3.370 | NCc1ccc2OCCc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1CN)CCO2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1CN)CCO2 |
