V6R
Summary
| Name: | (2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide |
| Formula: | C12 H17 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 224.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-~{N}-[(2-fluorophenyl)methyl]-~{N}-methyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccccc1CN(C)C(=O)C(N)CC |
| InChI | InChI | 1.06 | InChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | XGMLBICNMQKJQY-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](N)C(=O)N(C)Cc1ccccc1F |
| SMILES | CACTVS | 3.385 | CC[CH](N)C(=O)N(C)Cc1ccccc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](C(=O)N(C)Cc1ccccc1F)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C(=O)N(C)Cc1ccccc1F)N |
