4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline

C14H14BrN3 — CID 4153146

IUPAC4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2ccccc2Br)cc1
InChIInChI=1S/C14H14BrN3/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15/h3-10H,1-2H3/b17-16+
InChIKeyGRUMPROWLYTPSY-WUKNDPDISA-N
MW304.19 g/mol
LogP4.93
Rot. Bonds3

About 4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline

4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline (PubChem CID 4153146) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline
PubChem CID4153146
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2ccccc2Br)cc1
InChIInChI=1S/C14H14BrN3/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15/h3-10H,1-2H3/b17-16+
InChIKeyGRUMPROWLYTPSY-WUKNDPDISA-N
XLogP4.93
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.93
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'}

Analyze 4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline (CID 4153146) is 4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline is CN(C)c1ccc(/N=N/c2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline?
The InChIKey is GRUMPROWLYTPSY-WUKNDPDISA-N. The full InChI is InChI=1S/C14H14BrN3/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15/h3-10H,1-2H3/b17-16+.
What are the key properties of 4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline?
4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline has a molecular weight of 304.19 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 4153146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).