JHD
Summary
| Name: | 1-(3,4-dimethoxyphenyl)methanamine |
| Formula: | C9 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 167.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3,4-dimethoxyphenyl)methanamine |
| OpenEye OEToolkits | 2.0.6 | (3,4-dimethoxyphenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1c(OC)ccc(CN)c1 |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3 |
| InChIKey | InChI | 1.03 | DIVNUTGTTIRPQA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CN)cc1OC |
| SMILES | CACTVS | 3.385 | COc1ccc(CN)cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1OC)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1OC)CN |
