4-(4-aminophenyl)-2-(methyldiazenyl)aniline

C13H14N4 — CID 70286516

IUPAC4-(4-aminophenyl)-2-(methyldiazenyl)aniline
SMILESC/N=N/c1cc(-c2ccc(N)cc2)ccc1N
InChIInChI=1S/C13H14N4/c1-16-17-13-8-10(4-7-12(13)15)9-2-5-11(14)6-3-9/h2-8H,14-15H2,1H3/b17-16+
InChIKeyFBCLMVBDDVHVMM-WUKNDPDISA-N
MW226.28 g/mol
LogP3.23
Rot. Bonds2

About 4-(4-aminophenyl)-2-(methyldiazenyl)aniline

4-(4-aminophenyl)-2-(methyldiazenyl)aniline (PubChem CID 70286516) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-(methyldiazenyl)aniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-(methyldiazenyl)aniline
PubChem CID70286516
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-(4-aminophenyl)-2-(methyldiazenyl)aniline
SMILESC/N=N/c1cc(-c2ccc(N)cc2)ccc1N
InChIInChI=1S/C13H14N4/c1-16-17-13-8-10(4-7-12(13)15)9-2-5-11(14)6-3-9/h2-8H,14-15H2,1H3/b17-16+
InChIKeyFBCLMVBDDVHVMM-WUKNDPDISA-N
XLogP3.23
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 ≤ 53.23
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 4-(4-aminophenyl)-2-(methyldiazenyl)aniline?
The IUPAC name of 4-(4-aminophenyl)-2-(methyldiazenyl)aniline (CID 70286516) is 4-(4-aminophenyl)-2-(methyldiazenyl)aniline.
What is the SMILES notation for 4-(4-aminophenyl)-2-(methyldiazenyl)aniline?
The canonical SMILES for 4-(4-aminophenyl)-2-(methyldiazenyl)aniline is C/N=N/c1cc(-c2ccc(N)cc2)ccc1N.
What is the InChIKey of 4-(4-aminophenyl)-2-(methyldiazenyl)aniline?
The InChIKey is FBCLMVBDDVHVMM-WUKNDPDISA-N. The full InChI is InChI=1S/C13H14N4/c1-16-17-13-8-10(4-7-12(13)15)9-2-5-11(14)6-3-9/h2-8H,14-15H2,1H3/b17-16+.
What are the key properties of 4-(4-aminophenyl)-2-(methyldiazenyl)aniline?
4-(4-aminophenyl)-2-(methyldiazenyl)aniline has a molecular weight of 226.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2-(methyldiazenyl)aniline is sourced from PubChem (CID 70286516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).