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

C14H16N2O2 — CID 154001742

IUPAC3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol
SMILESCc1cc(N)ccc1-c1ccc(NO)c(O)c1C
InChIInChI=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
InChIKeyOBFYWVZLLUCAKO-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.06
Rot. Bonds2

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 Name3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol
PubChem CID154001742
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol
SMILESCc1cc(N)ccc1-c1ccc(NO)c(O)c1C
InChIInChI=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
InChIKeyOBFYWVZLLUCAKO-UHFFFAOYSA-N
XLogP3.06
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

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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).