4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline

C14H14IN3 — CID 577894

IUPAC4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2ccc(I)cc2)cc1
InChIInChI=1S/C14H14IN3/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3/b17-16+
InChIKeyJSCFDMNXBTVUTH-WUKNDPDISA-N
MW351.19 g/mol
LogP4.77
Rot. Bonds3

About 4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline

4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline (PubChem CID 577894) has the molecular formula C14H14IN3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
PubChem CID577894
Molecular FormulaC14H14IN3
Molecular Weight351.19 g/mol
Exact Mass351.02
IUPAC Name4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2ccc(I)cc2)cc1
InChIInChI=1S/C14H14IN3/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3/b17-16+
InChIKeyJSCFDMNXBTVUTH-WUKNDPDISA-N
XLogP4.77
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

bis(4-iodophenyl)diazene
CID 3544718
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline
CID 145427736
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
CID 154979865
4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline
CID 9592
1-N'-(1-aminoethyl)-1-N'-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethane-1,1-diamine
CID 89354990
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
CID 135538380
4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline
CID 23806
4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline
CID 159881311
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfinate
CID 18548168

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline (CID 577894) is 4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline is CN(C)c1ccc(/N=N/c2ccc(I)cc2)cc1.
What is the InChIKey of 4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline?
The InChIKey is JSCFDMNXBTVUTH-WUKNDPDISA-N. The full InChI is InChI=1S/C14H14IN3/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3/b17-16+.
What are the key properties of 4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline?
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline has a molecular weight of 351.19 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 577894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).