MLG
Summary
| Name: | N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE |
| Synonyms: | N-METHYL-N-PROPARGYL-3-(2,4-DICHLOROPHENOXY)PROPYLAMINE |
| Formula: | C13 H15 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 272.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine |
| OpenEye OEToolkits | 1.5.0 | N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-prop-2-yn-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cc(Cl)ccc1OCCCN(CC#C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(CCCOc1ccc(Cl)cc1Cl)CC#C |
| SMILES | CACTVS | 3.341 | CN(CCCOc1ccc(Cl)cc1Cl)CC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(CCCOc1ccc(cc1Cl)Cl)CC#C |
| InChI | InChI | 1.03 | InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3 |
| InChIKey | InChI | 1.03 | BTFHLQRNAMSNLC-UHFFFAOYSA-N |
