O1D
Summary
| Name: | 3-(benzyloxy)aniline |
| Formula: | C13 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 199.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(benzyloxy)aniline |
| OpenEye OEToolkits | 2.0.6 | 3-phenylmethoxyaniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(OCc1ccccc1)cc(N)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2 |
| InChIKey | InChI | 1.03 | IGPFOKFDBICQMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(OCc2ccccc2)c1 |
| SMILES | CACTVS | 3.385 | Nc1cccc(OCc2ccccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)COc2cccc(c2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)COc2cccc(c2)N |
