P0Q
Summary
| Name: | (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine |
| Formula: | C13 H18 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 239.741 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3/t9-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | KLPHSXVQSDRPPX-SKDRFNHKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1NC(C)(C)CO[C@@H]1c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | C[CH]1NC(C)(C)CO[CH]1c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1[C@H](OCC(N1)(C)C)c2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(OCC(N1)(C)C)c2cccc(c2)Cl |
