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

C14H14ClN3 — CID 17226

IUPAC4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClN3/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+
InChIKeyWQWHNMIYCHFRJK-WUKNDPDISA-N
MW259.74 g/mol
LogP4.82
Rot. Bonds3

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

4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline (PubChem CID 17226) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
PubChem CID17226
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClN3/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+
InChIKeyWQWHNMIYCHFRJK-WUKNDPDISA-N
XLogP4.82
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.82
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'}

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Related Compounds

4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
4-[(5-chloro-1-oxidopyridin-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;methane
CID 159170536
N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline
CID 145427736
4-[[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]diazenyl]-N,N-dimethylaniline
CID 90129084
4-[(6-chloro-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylaniline
CID 577406
4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline
CID 9592
4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
CID 56850221
4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline
CID 71322374
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline (CID 17226) is 4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline is CN(C)c1ccc(/N=N/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline?
The InChIKey is WQWHNMIYCHFRJK-WUKNDPDISA-N. The full InChI is InChI=1S/C14H14ClN3/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-chlorophenyl)diazenyl]-N,N-dimethylaniline?
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline has a molecular weight of 259.74 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 17226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).