OEI
2-[(phenylmethyl)amino]ethanol
| Created: | 2022-09-06 |
| Last modified: | 2022-11-23 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 24 |
| Chiral Atom Count | 0 |
| Bond Count | 24 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 2-[(phenylmethyl)amino]ethanol |
| Synonyms | 2-(benzylamino)ethan-1-ol |
| Systematic Name (OpenEye OEToolkits) | 2-[(phenylmethyl)amino]ethanol |
| Formula | C9 H13 N O |
| Molecular Weight | 151.206 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | OCCNCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CNCCO |
| Canonical SMILES | CACTVS | 3.385 | OCCNCc1ccccc1 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CNCCO |
| InChI | InChI | 1.06 | InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2 |
| InChIKey | InChI | 1.06 | XNIOWJUQPMKCIJ-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 4348 |
| ChEMBL | CHEMBL119890 |
| CCDC/CSD | DIRNUP |
