54E
Summary
| Name: | 1-(2-chlorobiphenyl-4-yl)methanamine |
| Formula: | C13 H12 Cl N |
| Formal charge: | 0 |
| Formula weight: | 217.694 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2-chlorobiphenyl-4-yl)methanamine |
| OpenEye OEToolkits | 1.9.2 | (3-chloranyl-4-phenyl-phenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(ccc1c2ccccc2)CN |
| InChI | InChI | 1.03 | InChI=1S/C13H12ClN/c14-13-8-10(9-15)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9,15H2 |
| InChIKey | InChI | 1.03 | CUCWYGFPAKDUOM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | NCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2ccc(cc2Cl)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2ccc(cc2Cl)CN |
