5-(5-amino-2-hydroxyanilino)-2-methylphenol

C13H14N2O2 — CID 67898341

IUPAC5-(5-amino-2-hydroxyanilino)-2-methylphenol
SMILESCc1ccc(Nc2cc(N)ccc2O)cc1O
InChIInChI=1S/C13H14N2O2/c1-8-2-4-10(7-13(8)17)15-11-6-9(14)3-5-12(11)16/h2-7,15-17H,14H2,1H3
InChIKeyXAWBFOMJKLKPMV-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.73
Rot. Bonds2

About 5-(5-amino-2-hydroxyanilino)-2-methylphenol

5-(5-amino-2-hydroxyanilino)-2-methylphenol (PubChem CID 67898341) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(5-amino-2-hydroxyanilino)-2-methylphenol.

Molecular Properties

Compound Name5-(5-amino-2-hydroxyanilino)-2-methylphenol
PubChem CID67898341
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-(5-amino-2-hydroxyanilino)-2-methylphenol
SMILESCc1ccc(Nc2cc(N)ccc2O)cc1O
InChIInChI=1S/C13H14N2O2/c1-8-2-4-10(7-13(8)17)15-11-6-9(14)3-5-12(11)16/h2-7,15-17H,14H2,1H3
InChIKeyXAWBFOMJKLKPMV-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.73
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': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-hydroxyanilino)-2-methylphenol?
The IUPAC name of 5-(5-amino-2-hydroxyanilino)-2-methylphenol (CID 67898341) is 5-(5-amino-2-hydroxyanilino)-2-methylphenol.
What is the SMILES notation for 5-(5-amino-2-hydroxyanilino)-2-methylphenol?
The canonical SMILES for 5-(5-amino-2-hydroxyanilino)-2-methylphenol is Cc1ccc(Nc2cc(N)ccc2O)cc1O.
What is the InChIKey of 5-(5-amino-2-hydroxyanilino)-2-methylphenol?
The InChIKey is XAWBFOMJKLKPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-2-4-10(7-13(8)17)15-11-6-9(14)3-5-12(11)16/h2-7,15-17H,14H2,1H3.
What are the key properties of 5-(5-amino-2-hydroxyanilino)-2-methylphenol?
5-(5-amino-2-hydroxyanilino)-2-methylphenol has a molecular weight of 230.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-hydroxyanilino)-2-methylphenol is sourced from PubChem (CID 67898341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).