4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline

C16H18BrN3 — CID 2801794

IUPAC4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/N=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrN3/c1-3-20(4-2)16-11-9-15(10-12-16)19-18-14-7-5-13(17)6-8-14/h5-12H,3-4H2,1-2H3/b19-18+
InChIKeyLDBYWLHTEGDQDL-VHEBQXMUSA-N
MW332.25 g/mol
LogP5.71
Rot. Bonds5

About 4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline

4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline (PubChem CID 2801794) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline
PubChem CID2801794
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/N=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrN3/c1-3-20(4-2)16-11-9-15(10-12-16)19-18-14-7-5-13(17)6-8-14/h5-12H,3-4H2,1-2H3/b19-18+
InChIKeyLDBYWLHTEGDQDL-VHEBQXMUSA-N
XLogP5.71
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.25
LogP ≤ 55.71
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline?
The IUPAC name of 4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline (CID 2801794) is 4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline is CCN(CC)c1ccc(/N=N/c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline?
The InChIKey is LDBYWLHTEGDQDL-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H18BrN3/c1-3-20(4-2)16-11-9-15(10-12-16)19-18-14-7-5-13(17)6-8-14/h5-12H,3-4H2,1-2H3/b19-18+.
What are the key properties of 4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline?
4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline has a molecular weight of 332.25 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline is sourced from PubChem (CID 2801794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).