JFJ
Summary
| Name: | 1-(3-chlorophenyl)-N-methylmethanamine |
| Formula: | C8 H10 Cl N |
| Formal charge: | 0 |
| Formula weight: | 155.625 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-chlorophenyl)-N-methylmethanamine |
| OpenEye OEToolkits | 2.0.6 | 1-(3-chlorophenyl)-~{N}-methyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNCc1cccc(Cl)c1 |
| InChI | InChI | 1.03 | InChI=1S/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3 |
| InChIKey | InChI | 1.03 | ZPNLAQVYPIAHTO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | CNCc1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNCc1cccc(c1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNCc1cccc(c1)Cl |
