GOV
Summary
| Name: | (2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol |
| Formula: | C11 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 209.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-(1,3-benzodioxol-5-ylmethylamino)propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(O)CNCc1ccc2OCOc2c1 |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO3/c1-8(13)5-12-6-9-2-3-10-11(4-9)15-7-14-10/h2-4,8,12-13H,5-7H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | VIYPNISBCRFBOV-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)CNCc1ccc2OCOc2c1 |
| SMILES | CACTVS | 3.385 | C[CH](O)CNCc1ccc2OCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CNCc1ccc2c(c1)OCO2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CNCc1ccc2c(c1)OCO2)O |
