A1AFW
Summary
| Name: | Mescaline |
| Synonyms: | 2-(3,4,5-trimethoxyphenyl)ethan-1-amine |
| Formula: | C11 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 211.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3,4,5-trimethoxyphenyl)ethan-1-amine |
| OpenEye OEToolkits | 2.0.7 | 2-(3,4,5-trimethoxyphenyl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1c(cc(cc1OC)CCN)OC |
| InChI | InChI | 1.06 | InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3 |
| InChIKey | InChI | 1.06 | RHCSKNNOAZULRK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CCN)cc(OC)c1OC |
| SMILES | CACTVS | 3.385 | COc1cc(CCN)cc(OC)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)OC)CCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)OC)CCN |
