A1CUX
Summary
| Name: | 3-(phenoxymethyl)aniline |
| Formula: | C13 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 199.248 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-(phenoxymethyl)aniline |
| OpenEye OEToolkits | 3.1.0.0 | 3-(phenoxymethyl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Nc1cccc(COc2ccccc2)c1 |
| InChI | InChI | 1.06 | InChI=1S/C13H13NO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10,14H2 |
| InChIKey | InChI | 1.06 | FSQPEMRQTZGIRF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(COc2ccccc2)c1 |
| SMILES | CACTVS | 3.385 | Nc1cccc(COc2ccccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)OCc2cccc(c2)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)OCc2cccc(c2)N |
