A1CGS
Summary
| Name: | 2-(4-chloro-3-methylphenoxy)-N-ethylethan-1-amine |
| Formula: | C11 H16 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 213.704 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(4-chloro-3-methylphenoxy)-N-ethylethan-1-amine |
| OpenEye OEToolkits | 3.1.0.0 | 2-(4-chloranyl-3-methyl-phenoxy)-~{N}-ethyl-ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1cc(OCCNCC)ccc1Cl |
| InChI | InChI | 1.06 | InChI=1S/C11H16ClNO/c1-3-13-6-7-14-10-4-5-11(12)9(2)8-10/h4-5,8,13H,3,6-7H2,1-2H3 |
| InChIKey | InChI | 1.06 | JETZEQAXQGLWPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNCCOc1ccc(Cl)c(C)c1 |
| SMILES | CACTVS | 3.385 | CCNCCOc1ccc(Cl)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCNCCOc1ccc(c(c1)C)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCNCCOc1ccc(c(c1)C)Cl |
