XJ2
Summary
| Name: | (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol |
| Formula: | C14 H22 N2 O |
| Formal charge: | 0 |
| Formula weight: | 234.337 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H22N2O/c1-15-9-14(17)11-16-8-4-7-12-5-2-3-6-13(12)10-16/h2-3,5-6,14-15,17H,4,7-11H2,1H3/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | YEILCWAUDAOYQR-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC[C@@H](O)CN1CCCc2ccccc2C1 |
| SMILES | CACTVS | 3.385 | CNC[CH](O)CN1CCCc2ccccc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNC[C@H](CN1CCCc2ccccc2C1)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNCC(CN1CCCc2ccccc2C1)O |
