LO5
Summary
| Name: | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine |
| Formula: | C13 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 235.279 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO3/c1-2-11(15-5-1)8-14-7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11,14H,1-2,5,7-9H2/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | GSKKKMLEVJZIAD-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CO[C@H](C1)CNCc2ccc3OCOc3c2 |
| SMILES | CACTVS | 3.385 | C1CO[CH](C1)CNCc2ccc3OCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CNC[C@H]3CCCO3)OCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CNCC3CCCO3)OCO2 |
