WH7
Summary
| Name: | (2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol |
| Formula: | C10 H13 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 234.122 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-[[2,6-bis(chloranyl)phenyl]methylamino]propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(c(cccc1Cl)Cl)CNCC(C)O |
| InChI | InChI | 1.03 | InChI=1S/C10H13Cl2NO/c1-7(14)5-13-6-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | BNJMFYUVZZATLR-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)CNCc1c(Cl)cccc1Cl |
| SMILES | CACTVS | 3.385 | C[CH](O)CNCc1c(Cl)cccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CNCc1c(cccc1Cl)Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CNCc1c(cccc1Cl)Cl)O |
