About N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine
N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine (PubChem CID 145069260) has the molecular formula C10H15NO
and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine.
Molecular Properties
| Compound Name | N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine |
| PubChem CID | 145069260 |
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.24 g/mol |
| Exact Mass | 165.12 |
| IUPAC Name | N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine |
| SMILES | CCc1ccc(C)cc1N(C)O |
| InChI | InChI=1S/C10H15NO/c1-4-9-6-5-8(2)7-10(9)11(3)12/h5-7,12H,4H2,1-3H3 |
| InChIKey | OWFYEBXXTNBFQY-UHFFFAOYSA-N |
| XLogP | 2.38 |
| TPSA | 23.47 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 165.24 |
| LogP ≤ 5 | 2.38 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine?
The IUPAC name of N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine (CID 145069260) is N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine.
What is the SMILES notation for N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine?
The canonical SMILES for N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine is CCc1ccc(C)cc1N(C)O.
What is the InChIKey of N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine?
The InChIKey is OWFYEBXXTNBFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-9-6-5-8(2)7-10(9)11(3)12/h5-7,12H,4H2,1-3H3.
What are the key properties of N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine?
N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine has a molecular weight of 165.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-methylphenyl)-N-methylhydroxylamine is sourced from PubChem (CID 145069260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).