4XJ
Summary
| Name: | 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine |
| Formula: | C14 H22 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 250.337 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine |
| OpenEye OEToolkits | 1.9.2 | 2-(1,3-dimethoxypropan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COCC(N2CCc1cccc(c1C2)N)COC |
| InChI | InChI | 1.03 | InChI=1S/C14H22N2O2/c1-17-9-12(10-18-2)16-7-6-11-4-3-5-14(15)13(11)8-16/h3-5,12H,6-10,15H2,1-2H3 |
| InChIKey | InChI | 1.03 | NLRZZRKZNUFUOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCC(COC)N1CCc2cccc(N)c2C1 |
| SMILES | CACTVS | 3.385 | COCC(COC)N1CCc2cccc(N)c2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COCC(COC)N1CCc2cccc(c2C1)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | COCC(COC)N1CCc2cccc(c2C1)N |
