O82
Summary
| Name: | 1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine |
| Formula: | C16 H17 F N2 |
| Formal charge: | 0 |
| Formula weight: | 256.318 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine |
| OpenEye OEToolkits | 1.7.6 | 1-[9-(2-fluoranylethyl)carbazol-3-yl]-N-methyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12n(c3c(c1cccc2)cc(cc3)CNC)CCF |
| InChI | InChI | 1.03 | InChI=1S/C16H17FN2/c1-18-11-12-6-7-16-14(10-12)13-4-2-3-5-15(13)19(16)9-8-17/h2-7,10,18H,8-9,11H2,1H3 |
| InChIKey | InChI | 1.03 | QBECHPJOWHCRPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccc2n(CCF)c3ccccc3c2c1 |
| SMILES | CACTVS | 3.385 | CNCc1ccc2n(CCF)c3ccccc3c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNCc1ccc2c(c1)c3ccccc3n2CCF |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNCc1ccc2c(c1)c3ccccc3n2CCF |
