6RY
Summary
| Name: | ~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine |
| Formula: | C16 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 270.326 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | ~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18N2O2/c1-11(18-14-4-3-7-17-12(14)2)13-5-6-15-16(10-13)20-9-8-19-15/h3-7,10-11,18H,8-9H2,1-2H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | UFPSUOFEQKCPHZ-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Nc1cccnc1C)c2ccc3OCCOc3c2 |
| SMILES | CACTVS | 3.385 | C[CH](Nc1cccnc1C)c2ccc3OCCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCO3 |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c(cccn1)NC(C)c2ccc3c(c2)OCCO3 |
