AFK
Summary
| Name: | [3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine |
| Formula: | C15 H16 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 261.747 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16ClNO/c1-10-3-6-15(18-2)13(7-10)12-5-4-11(9-17)8-14(12)16/h3-8H,9,17H2,1-2H3 |
| InChIKey | InChI | 1.03 | FAUPJNHBQZGWOE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C)cc1c2ccc(CN)cc2Cl |
| SMILES | CACTVS | 3.385 | COc1ccc(C)cc1c2ccc(CN)cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1)c2ccc(cc2Cl)CN)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1)c2ccc(cc2Cl)CN)OC |
