T3T
Summary
| Name: | 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine |
| Formula: | C14 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O2/c1-2-6-16-12(3-1)9-15-8-11-4-5-13-14(7-11)18-10-17-13/h1-7,15H,8-10H2 |
| InChIKey | InChI | 1.03 | KZQVJMBMNZMAGV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1Oc2ccc(CNCc3ccccn3)cc2O1 |
| SMILES | CACTVS | 3.385 | C1Oc2ccc(CNCc3ccccn3)cc2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CNCc2ccc3c(c2)OCO3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CNCc2ccc3c(c2)OCO3 |
