VFL
Summary
| Name: | (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol |
| Formula: | C11 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 195.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-1-azanyl-3-(2,4-dimethylphenoxy)propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NCC(O)COc1ccc(C)cc1C |
| InChI | InChI | 1.06 | InChI=1S/C11H17NO2/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12/h3-5,10,13H,6-7,12H2,1-2H3/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | MUMARLPGCDVFQA-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(OC[C@H](O)CN)c(C)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(OC[CH](O)CN)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C)OC[C@@H](CN)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C)OCC(CN)O |
