Q5U
Summary
| Name: | 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine |
| OpenEye OEToolkits | 2.0.7 | 1-[(3~{S})-2,3-dihydro-1,4-benzodioxin-3-yl]-~{N}-methyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNCC1COc2ccccc2O1 |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3 |
| InChIKey | InChI | 1.03 | RPZMFKMYOVWSQN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC[C@H]1COc2ccccc2O1 |
| SMILES | CACTVS | 3.385 | CNC[CH]1COc2ccccc2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC[C@H]1COc2ccccc2O1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCC1COc2ccccc2O1 |
