W5L
Summary
| Name: | (2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol |
| Formula: | C10 H14 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 215.677 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-1-azanyl-3-(4-chloranyl-3-methyl-phenoxy)propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc(OCC(O)CN)ccc1Cl |
| InChI | InChI | 1.06 | InChI=1S/C10H14ClNO2/c1-7-4-9(2-3-10(7)11)14-6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | GRDZVACAKYVZEP-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(OC[C@H](O)CN)ccc1Cl |
| SMILES | CACTVS | 3.385 | Cc1cc(OC[CH](O)CN)ccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1Cl)OC[C@@H](CN)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1Cl)OCC(CN)O |
