B41
Summary
| Name: | (2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine |
| Synonyms: | 3,4 methylenedioxy-n-methylamphetamine MDMA; Ecstasy |
| Formula: | C11 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 193.242 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine |
| OpenEye OEToolkits | 1.5.0 | (2S)-1-(1,3-benzodioxol-5-yl)-N-methyl-propan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O1c2ccc(cc2OC1)CC(NC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN[C@@H](C)Cc1ccc2OCOc2c1 |
| SMILES | CACTVS | 3.341 | CN[CH](C)Cc1ccc2OCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](Cc1ccc2c(c1)OCO2)NC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(Cc1ccc2c(c1)OCO2)NC |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | SHXWCVYOXRDMCX-QMMMGPOBSA-N |
