2-[[2-(methylamino)phenyl]diazenyl]phenol

C13H13N3O — CID 136646465

IUPAC2-[[2-(methylamino)phenyl]diazenyl]phenol
SMILESCNc1ccccc1/N=N/c1ccccc1O
InChIInChI=1S/C13H13N3O/c1-14-10-6-2-3-7-11(10)15-16-12-8-4-5-9-13(12)17/h2-9,14,17H,1H3/b16-15+
InChIKeyIPMOUFGZFBBZFM-FOCLMDBBSA-N
MW227.27 g/mol
LogP3.85
Rot. Bonds3

About 2-[[2-(methylamino)phenyl]diazenyl]phenol

2-[[2-(methylamino)phenyl]diazenyl]phenol (PubChem CID 136646465) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[[2-(methylamino)phenyl]diazenyl]phenol.

Molecular Properties

Compound Name2-[[2-(methylamino)phenyl]diazenyl]phenol
PubChem CID136646465
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-[[2-(methylamino)phenyl]diazenyl]phenol
SMILESCNc1ccccc1/N=N/c1ccccc1O
InChIInChI=1S/C13H13N3O/c1-14-10-6-2-3-7-11(10)15-16-12-8-4-5-9-13(12)17/h2-9,14,17H,1H3/b16-15+
InChIKeyIPMOUFGZFBBZFM-FOCLMDBBSA-N
XLogP3.85
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)phenyl]diazenyl]phenol?
The IUPAC name of 2-[[2-(methylamino)phenyl]diazenyl]phenol (CID 136646465) is 2-[[2-(methylamino)phenyl]diazenyl]phenol.
What is the SMILES notation for 2-[[2-(methylamino)phenyl]diazenyl]phenol?
The canonical SMILES for 2-[[2-(methylamino)phenyl]diazenyl]phenol is CNc1ccccc1/N=N/c1ccccc1O.
What is the InChIKey of 2-[[2-(methylamino)phenyl]diazenyl]phenol?
The InChIKey is IPMOUFGZFBBZFM-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H13N3O/c1-14-10-6-2-3-7-11(10)15-16-12-8-4-5-9-13(12)17/h2-9,14,17H,1H3/b16-15+.
What are the key properties of 2-[[2-(methylamino)phenyl]diazenyl]phenol?
2-[[2-(methylamino)phenyl]diazenyl]phenol has a molecular weight of 227.27 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)phenyl]diazenyl]phenol is sourced from PubChem (CID 136646465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).