3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol

C₁₄H₁₆N₂O₂ — CID 154001742

About 3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol

3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol (PubChem CID 154001742) has the molecular formula C₁₄H₁₆N₂O₂ and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol.

Molecular Properties

• Compound Name: 3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol
• PubChem CID: 154001742
• Molecular Formula: C₁₄H₁₆N₂O₂
• Molecular Weight: 244.29 g/mol
• Exact Mass: 244.12
• IUPAC Name: 3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol
• SMILES: Cc1cc(N)ccc1-c1ccc(NO)c(O)c1C
• InChI: InChI=1S/C14H16N2O2/c1-8-7-10(15)3-4-11(8)12-5-6-13(16-18)14(17)9(12)2/h3-7,16-18H,15H2,1-2H3
• InChIKey: OBFYWVZLLUCAKO-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 78.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.29
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol?

The IUPAC name of 3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol (CID 154001742) is 3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol.

What is the SMILES notation for 3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol?

The canonical SMILES for 3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol is Cc1cc(N)ccc1-c1ccc(NO)c(O)c1C.

What is the InChIKey of 3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol?

The InChIKey is OBFYWVZLLUCAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-7-10(15)3-4-11(8)12-5-6-13(16-18)14(17)9(12)2/h3-7,16-18H,15H2,1-2H3.

What are the key properties of 3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol?

3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol has a molecular weight of 244.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol is sourced from PubChem (CID 154001742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154001742 — identifiers, structure, computed properties (public domain)

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