4-[[(4-aminophenyl)diazenyl]methyl]aniline

C13H14N4 — CID 129142079

IUPAC4-[[(4-aminophenyl)diazenyl]methyl]aniline
SMILESNc1ccc(C/N=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N4/c14-11-3-1-10(2-4-11)9-16-17-13-7-5-12(15)6-8-13/h1-8H,9,14-15H2/b17-16+
InChIKeyODIDILZCVHRXDY-WUKNDPDISA-N
MW226.28 g/mol
LogP3.13
Rot. Bonds3

About 4-[[(4-aminophenyl)diazenyl]methyl]aniline

4-[[(4-aminophenyl)diazenyl]methyl]aniline (PubChem CID 129142079) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[[(4-aminophenyl)diazenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[(4-aminophenyl)diazenyl]methyl]aniline
PubChem CID129142079
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-[[(4-aminophenyl)diazenyl]methyl]aniline
SMILESNc1ccc(C/N=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N4/c14-11-3-1-10(2-4-11)9-16-17-13-7-5-12(15)6-8-13/h1-8H,9,14-15H2/b17-16+
InChIKeyODIDILZCVHRXDY-WUKNDPDISA-N
XLogP3.13
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
CID 134597339
3-[(4-aminophenyl)methyldiazenyl]benzoic acid
CID 91202779
4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline
CID 122546962
(4-methylphenyl)methyl-phenyldiazene
CID 13049562
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
N,N-dimethyl-4-(phenyldiazenylmethyl)aniline
CID 91244696
4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
4-[[4-(4-propylphenoxy)phenyl]diazenyl]aniline
CID 129086495
4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
4-(dimethylaminodiazenyl)aniline
CID 71404531

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-aminophenyl)diazenyl]methyl]aniline?
The IUPAC name of 4-[[(4-aminophenyl)diazenyl]methyl]aniline (CID 129142079) is 4-[[(4-aminophenyl)diazenyl]methyl]aniline.
What is the SMILES notation for 4-[[(4-aminophenyl)diazenyl]methyl]aniline?
The canonical SMILES for 4-[[(4-aminophenyl)diazenyl]methyl]aniline is Nc1ccc(C/N=N/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[(4-aminophenyl)diazenyl]methyl]aniline?
The InChIKey is ODIDILZCVHRXDY-WUKNDPDISA-N. The full InChI is InChI=1S/C13H14N4/c14-11-3-1-10(2-4-11)9-16-17-13-7-5-12(15)6-8-13/h1-8H,9,14-15H2/b17-16+.
What are the key properties of 4-[[(4-aminophenyl)diazenyl]methyl]aniline?
4-[[(4-aminophenyl)diazenyl]methyl]aniline has a molecular weight of 226.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-aminophenyl)diazenyl]methyl]aniline is sourced from PubChem (CID 129142079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).