4XD
Summary
| Name: | 2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine |
| Formula: | C12 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 206.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine |
| OpenEye OEToolkits | 1.9.2 | 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(Cc2c(C1)cccc2N)CCOC |
| InChI | InChI | 1.03 | InChI=1S/C12H18N2O/c1-15-8-7-14-6-5-10-3-2-4-12(13)11(10)9-14/h2-4H,5-9,13H2,1H3 |
| InChIKey | InChI | 1.03 | IJXQCLYAKMPTMJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCN1CCc2cccc(N)c2C1 |
| SMILES | CACTVS | 3.385 | COCCN1CCc2cccc(N)c2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COCCN1CCc2cccc(c2C1)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | COCCN1CCc2cccc(c2C1)N |
