A1EK8
Summary
| Name: | (2~{R})-1-(2,5-dimethoxy-4-methyl-phenyl)butan-2-amine |
| Formula: | C13 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 223.311 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-1-(2,5-dimethoxy-4-methyl-phenyl)butan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H21NO2/c1-5-11(14)7-10-8-12(15-3)9(2)6-13(10)16-4/h6,8,11H,5,7,14H2,1-4H3/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | MLYCFWZIAJAIGW-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](N)Cc1cc(OC)c(C)cc1OC |
| SMILES | CACTVS | 3.385 | CC[CH](N)Cc1cc(OC)c(C)cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](Cc1cc(c(cc1OC)C)OC)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(Cc1cc(c(cc1OC)C)OC)N |
