YY2
Summary
| Name: | 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide |
| Formula: | C14 H21 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 300.781 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide |
| OpenEye OEToolkits | 1.9.2 | 2-[4-(aminomethyl)-2-chloranyl-6-methoxy-phenoxy]-N-tert-butyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(cc(OC)c1OCC(=O)NC(C)(C)C)CN |
| InChI | InChI | 1.03 | InChI=1S/C14H21ClN2O3/c1-14(2,3)17-12(18)8-20-13-10(15)5-9(7-16)6-11(13)19-4/h5-6H,7-8,16H2,1-4H3,(H,17,18) |
| InChIKey | InChI | 1.03 | HEOFBSUCMHLHRB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CN)cc(Cl)c1OCC(=O)NC(C)(C)C |
| SMILES | CACTVS | 3.385 | COc1cc(CN)cc(Cl)c1OCC(=O)NC(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)NC(=O)COc1c(cc(cc1Cl)CN)OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)NC(=O)COc1c(cc(cc1Cl)CN)OC |
