4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline

C14H14ClN3 — CID 19625

IUPAC4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClN3/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(15)10-13/h3-10H,1-2H3/b17-16+
InChIKeyZWJXJMMRLCEJAL-WUKNDPDISA-N
MW259.74 g/mol
LogP4.82
Rot. Bonds3

About 4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline

4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline (PubChem CID 19625) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline
PubChem CID19625
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClN3/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(15)10-13/h3-10H,1-2H3/b17-16+
InChIKeyZWJXJMMRLCEJAL-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

C.I. Solvent Yellow 2
CID 6053
4-(Para-chlorophenylazo)-N,N-dimethylaniline
CID 17226
4-Chloro-N,N-dimethylaniline
CID 136530
1-(3-Chlorophenyl)-4-hexylpiperazine
CID 610696
1-(3-Chloro-phenyl)-4-pentyl-piperazine
CID 14960350
Aniline, o-chloro-N,N-dimethyl-
CID 12772
4-[2-(3-Fluorophenyl)diazenyl]-N,N-dimethylbenzenamine
CID 9516
3-Chloro-4-(piperidin-1-yl)aniline
CID 736350
3,5-Dichloro-N,N-dimethylaniline
CID 643223
N,N-Dimethyl-3-chloroaniline
CID 23285
Piperazine, 1-(3-chlorophenyl)-4-methyl-
CID 14960351
1-(3-Chloro-phenyl)-4-ethyl-piperazine
CID 14960352

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline (CID 19625) is 4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline is CN(C)c1ccc(/N=N/c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline?
The InChIKey is ZWJXJMMRLCEJAL-WUKNDPDISA-N. The full InChI is InChI=1S/C14H14ClN3/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(15)10-13/h3-10H,1-2H3/b17-16+.
What are the key properties of 4-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline?
4-[(3-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-[(3-chlorophenyl)diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 19625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).