About 5-amino-2-bromo-3,6-dimethylphenol
5-amino-2-bromo-3,6-dimethylphenol (PubChem CID 84784556) has the molecular formula C8H10BrNO
and a molecular weight of 216.08 g/mol. Its IUPAC name is 5-amino-2-bromo-3,6-dimethylphenol.
Molecular Properties
| Compound Name | 5-amino-2-bromo-3,6-dimethylphenol |
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| PubChem CID | 84784556 |
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| Molecular Formula | C8H10BrNO |
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| Molecular Weight | 216.08 g/mol |
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| Exact Mass | 214.99 |
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| IUPAC Name | 5-amino-2-bromo-3,6-dimethylphenol |
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| SMILES | Cc1cc(N)c(C)c(O)c1Br |
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| InChI | InChI=1S/C8H10BrNO/c1-4-3-6(10)5(2)8(11)7(4)9/h3,11H,10H2,1-2H3 |
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| InChIKey | QSMYVVHRTCFZPS-UHFFFAOYSA-N |
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| XLogP | 2.35 |
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| TPSA | 46.25 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 216.08 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-amino-2-bromo-3,6-dimethylphenol?
The IUPAC name of 5-amino-2-bromo-3,6-dimethylphenol (CID 84784556) is 5-amino-2-bromo-3,6-dimethylphenol.
What is the SMILES notation for 5-amino-2-bromo-3,6-dimethylphenol?
The canonical SMILES for 5-amino-2-bromo-3,6-dimethylphenol is Cc1cc(N)c(C)c(O)c1Br.
What is the InChIKey of 5-amino-2-bromo-3,6-dimethylphenol?
The InChIKey is QSMYVVHRTCFZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-4-3-6(10)5(2)8(11)7(4)9/h3,11H,10H2,1-2H3.
What are the key properties of 5-amino-2-bromo-3,6-dimethylphenol?
5-amino-2-bromo-3,6-dimethylphenol has a molecular weight of 216.08 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-3,6-dimethylphenol is sourced from PubChem (CID 84784556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).