2-[(2-aminophenyl)diazenyl]-4-methylaniline

C13H14N4 — CID 118232962

IUPAC2-[(2-aminophenyl)diazenyl]-4-methylaniline
SMILESCc1ccc(N)c(/N=N/c2ccccc2N)c1
InChIInChI=1S/C13H14N4/c1-9-6-7-11(15)13(8-9)17-16-12-5-3-2-4-10(12)14/h2-8H,14-15H2,1H3/b17-16+
InChIKeyQRNQMTSVNGLFQN-WUKNDPDISA-N
MW226.28 g/mol
LogP3.57
Rot. Bonds2

About 2-[(2-aminophenyl)diazenyl]-4-methylaniline

2-[(2-aminophenyl)diazenyl]-4-methylaniline (PubChem CID 118232962) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(2-aminophenyl)diazenyl]-4-methylaniline.

Molecular Properties

Compound Name2-[(2-aminophenyl)diazenyl]-4-methylaniline
PubChem CID118232962
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-[(2-aminophenyl)diazenyl]-4-methylaniline
SMILESCc1ccc(N)c(/N=N/c2ccccc2N)c1
InChIInChI=1S/C13H14N4/c1-9-6-7-11(15)13(8-9)17-16-12-5-3-2-4-10(12)14/h2-8H,14-15H2,1H3/b17-16+
InChIKeyQRNQMTSVNGLFQN-WUKNDPDISA-N
XLogP3.57
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-aminophenyl)diazenyl]-4-methylaniline?
The IUPAC name of 2-[(2-aminophenyl)diazenyl]-4-methylaniline (CID 118232962) is 2-[(2-aminophenyl)diazenyl]-4-methylaniline.
What is the SMILES notation for 2-[(2-aminophenyl)diazenyl]-4-methylaniline?
The canonical SMILES for 2-[(2-aminophenyl)diazenyl]-4-methylaniline is Cc1ccc(N)c(/N=N/c2ccccc2N)c1.
What is the InChIKey of 2-[(2-aminophenyl)diazenyl]-4-methylaniline?
The InChIKey is QRNQMTSVNGLFQN-WUKNDPDISA-N. The full InChI is InChI=1S/C13H14N4/c1-9-6-7-11(15)13(8-9)17-16-12-5-3-2-4-10(12)14/h2-8H,14-15H2,1H3/b17-16+.
What are the key properties of 2-[(2-aminophenyl)diazenyl]-4-methylaniline?
2-[(2-aminophenyl)diazenyl]-4-methylaniline has a molecular weight of 226.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)diazenyl]-4-methylaniline is sourced from PubChem (CID 118232962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).