M9D
Summary
| Name: | (1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethan-1-amine |
| Formula: | C11 H12 F N3 |
| Formal charge: | 0 |
| Formula weight: | 205.231 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethan-1-amine |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-[5-(2-fluorophenyl)-1~{H}-imidazol-2-yl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2ccc(c1cnc(C(C)N)n1)c(c2)F |
| InChI | InChI | 1.03 | InChI=1S/C11H12FN3/c1-7(13)11-14-6-10(15-11)8-4-2-3-5-9(8)12/h2-7H,13H2,1H3,(H,14,15)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | VUIOYOVWNBPXPH-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)c1[nH]c(cn1)c2ccccc2F |
| SMILES | CACTVS | 3.385 | C[CH](N)c1[nH]c(cn1)c2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1[nH]c(cn1)c2ccccc2F)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1[nH]c(cn1)c2ccccc2F)N |
