A1IBI
Summary
| Name: | (2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine |
| Formula: | C11 H17 N O |
| Formal charge: | 0 |
| Formula weight: | 179.259 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | VLPIATFUUWWMKC-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)COc1c(C)cccc1C |
| SMILES | CACTVS | 3.385 | C[CH](N)COc1c(C)cccc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1OC[C@H](C)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1OCC(C)N)C |
