VYB
Summary
| Name: | 2-{[(3-bromophenyl)methyl]amino}ethan-1-ol |
| Formula: | C9 H12 Br N O |
| Formal charge: | 0 |
| Formula weight: | 230.102 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(3-bromophenyl)methyl]amino}ethan-1-ol |
| OpenEye OEToolkits | 2.0.7 | 2-[(3-bromophenyl)methylamino]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc(CNCCO)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H12BrNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,6,11-12H,4-5,7H2 |
| InChIKey | InChI | 1.06 | PWFAZOJNSCGBPM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCNCc1cccc(Br)c1 |
| SMILES | CACTVS | 3.385 | OCCNCc1cccc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)CNCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)CNCCO |
