About 2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide
2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide (PubChem CID 14677827) has the molecular formula C10H14N2O
and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide.
Molecular Properties
| Compound Name | 2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide |
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| PubChem CID | 14677827 |
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| Molecular Formula | C10H14N2O |
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| Molecular Weight | 178.23 g/mol |
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| Exact Mass | 178.11 |
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| IUPAC Name | 2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide |
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| SMILES | Cc1ccc(C/C(N)=N/O)cc1C |
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| InChI | InChI=1S/C10H14N2O/c1-7-3-4-9(5-8(7)2)6-10(11)12-13/h3-5,13H,6H2,1-2H3,(H2,11,12) |
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| InChIKey | MVLKLXBWBVCXKV-UHFFFAOYSA-N |
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| XLogP | 1.59 |
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| TPSA | 58.61 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 13 |
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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 | 178.23 |
| LogP ≤ 5 | 1.59 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide (CID 14677827) is 2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide is Cc1ccc(C/C(N)=N/O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide?
The InChIKey is MVLKLXBWBVCXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-3-4-9(5-8(7)2)6-10(11)12-13/h3-5,13H,6H2,1-2H3,(H2,11,12).
What are the key properties of 2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide?
2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide has a molecular weight of 178.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 14677827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).