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

C14H14FN3 — CID 9516

IUPAC4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2cccc(F)c2)cc1
InChIInChI=1S/C14H14FN3/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+
InChIKeyQPSNWMWKJWYOMD-WUKNDPDISA-N
MW243.28 g/mol
LogP4.31
Rot. Bonds3

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

4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline (PubChem CID 9516) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline
PubChem CID9516
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2cccc(F)c2)cc1
InChIInChI=1S/C14H14FN3/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+
InChIKeyQPSNWMWKJWYOMD-WUKNDPDISA-N
XLogP4.31
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 54.31
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

N,N-Dimethylaniline
CID 949
C.I. Solvent Yellow 2
CID 6053
N,N-dimethyl-p-phenylenediamine
CID 7472
Fenaminosulf
CID 23668198
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
N,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamine
CID 5934
Trimethylphenylammonium iodide
CID 94135
N,N-Dimethyl-4-[2-(2-methylphenyl)diazenyl]benzenamine
CID 19508
Phenyltrimethylammonium chloride
CID 67309
Solvent Yellow 56
CID 17204
Tetramethyl-p-phenylenediamine dihydrochloride
CID 71561

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline (CID 9516) is 4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline is CN(C)c1ccc(/N=N/c2cccc(F)c2)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline?
The InChIKey is QPSNWMWKJWYOMD-WUKNDPDISA-N. The full InChI is InChI=1S/C14H14FN3/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-fluorophenyl)diazenyl]-N,N-dimethylaniline?
4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline has a molecular weight of 243.28 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 9516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).