QBW
Summary
| Name: | 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol |
| Formula: | C15 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 243.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H17NO2/c17-14-7-6-12(10-15(14)18)8-9-16-11-13-4-2-1-3-5-13/h1-7,10,16-18H,8-9,11H2 |
| InChIKey | InChI | 1.03 | VFXBAOSXGMLCEF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CCNCc2ccccc2)cc1O |
| SMILES | CACTVS | 3.385 | Oc1ccc(CCNCc2ccccc2)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNCCc2ccc(c(c2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNCCc2ccc(c(c2)O)O |
