A1CGT
Summary
| Name: | 3-fluoro-N-{(1R)-1-[(3P)-3-(1H-imidazol-1-yl)phenyl]ethyl}propan-1-amine |
| Formula: | C14 H18 F N3 |
| Formal charge: | 0 |
| Formula weight: | 247.311 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-fluoro-N-{(1R)-1-[(3P)-3-(1H-imidazol-1-yl)phenyl]ethyl}propan-1-amine |
| OpenEye OEToolkits | 3.1.0.0 | 3-fluoranyl-~{N}-[(1~{R})-1-(3-imidazol-1-ylphenyl)ethyl]propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(NCCCF)c1cccc(c1)n1ccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H18FN3/c1-12(17-7-3-6-15)13-4-2-5-14(10-13)18-9-8-16-11-18/h2,4-5,8-12,17H,3,6-7H2,1H3/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | FEBIPSXCUUTCKH-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NCCCF)c1cccc(c1)n2ccnc2 |
| SMILES | CACTVS | 3.385 | C[CH](NCCCF)c1cccc(c1)n2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H](c1cccc(c1)n2ccnc2)NCCCF |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(c1cccc(c1)n2ccnc2)NCCCF |
