W8F
Summary
| Name: | 1-(3-methoxy-4-methylphenyl)methanamine |
| Formula: | C9 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 151.206 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-methoxy-4-methylphenyl)methanamine |
| OpenEye OEToolkits | 2.0.7 | (3-methoxy-4-methyl-phenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccc(cc1OC)CN |
| InChI | InChI | 1.06 | InChI=1S/C9H13NO/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5H,6,10H2,1-2H3 |
| InChIKey | InChI | 1.06 | IGAKDRWFTAVNCF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CN)ccc1C |
| SMILES | CACTVS | 3.385 | COc1cc(CN)ccc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1OC)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1OC)CN |
