4X1
Summary
| Name: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine |
| Formula: | C12 H18 N2 |
| Formal charge: | 0 |
| Formula weight: | 190.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine |
| OpenEye OEToolkits | 1.9.2 | 3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(Cc2c(C1)cccc2)CCCN |
| InChI | InChI | 1.03 | InChI=1S/C12H18N2/c13-7-3-8-14-9-6-11-4-1-2-5-12(11)10-14/h1-2,4-5H,3,6-10,13H2 |
| InChIKey | InChI | 1.03 | OZWGXKVQFUBMTE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCN1CCc2ccccc2C1 |
| SMILES | CACTVS | 3.385 | NCCCN1CCc2ccccc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)CCN(C2)CCCN |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)CCN(C2)CCCN |
