VQQ
Summary
| Name: | 2-(5-chloro-2-methoxyphenyl)ethan-1-amine |
| Formula: | C9 H12 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 185.651 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(5-chloro-2-methoxyphenyl)ethan-1-amine |
| OpenEye OEToolkits | 2.0.7 | 2-(5-chloranyl-2-methoxy-phenyl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(Cl)cc1CCN |
| InChI | InChI | 1.06 | InChI=1S/C9H12ClNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3 |
| InChIKey | InChI | 1.06 | YDRHMPXHIWRLIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cl)cc1CCN |
| SMILES | CACTVS | 3.385 | COc1ccc(Cl)cc1CCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1CCN)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1CCN)Cl |
