9LI
Summary
| Name: | 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine |
| Formula: | C11 H12 Cl2 N2 |
| Formal charge: | 0 |
| Formula weight: | 243.132 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine |
| OpenEye OEToolkits | 1.7.6 | 2-[4,6-bis(chloranyl)-2-methyl-1H-indol-3-yl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc2c(c(Cl)c1)c(c(n2)C)CCN |
| InChI | InChI | 1.03 | InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3 |
| InChIKey | InChI | 1.03 | JCTJISIFGZHOFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN |
| SMILES | CACTVS | 3.370 | Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c2c([nH]1)cc(cc2Cl)Cl)CCN |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c2c([nH]1)cc(cc2Cl)Cl)CCN |
