4X3
Summary
| Name: | 2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine |
| Formula: | C11 H16 N2 |
| Formal charge: | 0 |
| Formula weight: | 176.258 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine |
| OpenEye OEToolkits | 1.9.2 | 2-ethyl-3,4-dihydro-1H-isoquinolin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(Cc2c(C1)c(N)ccc2)CC |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h3-5H,2,6-8,12H2,1H3 |
| InChIKey | InChI | 1.03 | BQEJAFIVZNAXGW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCc2c(N)cccc2C1 |
| SMILES | CACTVS | 3.385 | CCN1CCc2c(N)cccc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN1CCc2c(cccc2N)C1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCN1CCc2c(cccc2N)C1 |
