4XM
Summary
| Name: | 2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
| Formula: | C17 H26 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 290.401 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
| OpenEye OEToolkits | 1.9.2 | 2-[3-(oxan-4-yloxy)propyl]-3,4-dihydro-1H-isoquinolin-8-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(Cc2c(C1)cccc2N)CCCOC3CCOCC3 |
| InChI | InChI | 1.03 | InChI=1S/C17H26N2O2/c18-17-4-1-3-14-5-9-19(13-16(14)17)8-2-10-21-15-6-11-20-12-7-15/h1,3-4,15H,2,5-13,18H2 |
| InChIKey | InChI | 1.03 | XCARWFGYJXOJRR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc2CCN(CCCOC3CCOCC3)Cc12 |
| SMILES | CACTVS | 3.385 | Nc1cccc2CCN(CCCOC3CCOCC3)Cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c1)N)CN(CC2)CCCOC3CCOCC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c1)N)CN(CC2)CCCOC3CCOCC3 |
