4XL
Summary
| Name: | 2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
| Formula: | C16 H25 N3 O |
| Formal charge: | 0 |
| Formula weight: | 275.389 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
| OpenEye OEToolkits | 1.9.2 | 2-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isoquinolin-8-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(Cc2c(C1)cccc2N)CCCN3CCOCC3 |
| InChI | InChI | 1.03 | InChI=1S/C16H25N3O/c17-16-4-1-3-14-5-8-19(13-15(14)16)7-2-6-18-9-11-20-12-10-18/h1,3-4H,2,5-13,17H2 |
| InChIKey | InChI | 1.03 | NKWZUNXHZAHVHV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc2CCN(CCCN3CCOCC3)Cc12 |
| SMILES | CACTVS | 3.385 | Nc1cccc2CCN(CCCN3CCOCC3)Cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c1)N)CN(CC2)CCCN3CCOCC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c1)N)CN(CC2)CCCN3CCOCC3 |
