4-[[4-(dimethylamino)phenyl]diazenyl]aniline

C14H16N4 — CID 10872

IUPAC4-[[4-(dimethylamino)phenyl]diazenyl]aniline
SMILESCN(C)c1ccc(/N=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N4/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3/b17-16+
InChIKeyBVRIUXYMUSKBHG-WUKNDPDISA-N
MW240.31 g/mol
LogP3.75
Rot. Bonds3

About 4-[[4-(dimethylamino)phenyl]diazenyl]aniline

4-[[4-(dimethylamino)phenyl]diazenyl]aniline (PubChem CID 10872) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]diazenyl]aniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]diazenyl]aniline
PubChem CID10872
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-[[4-(dimethylamino)phenyl]diazenyl]aniline
SMILESCN(C)c1ccc(/N=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N4/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3/b17-16+
InChIKeyBVRIUXYMUSKBHG-WUKNDPDISA-N
XLogP3.75
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[[4-(dimethylamino)phenyl]diazenyl]aniline 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-[[4-(dimethylamino)phenyl]diazenyl]aniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]aniline (CID 10872) is 4-[[4-(dimethylamino)phenyl]diazenyl]aniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]diazenyl]aniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]diazenyl]aniline is CN(C)c1ccc(/N=N/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]diazenyl]aniline?
The InChIKey is BVRIUXYMUSKBHG-WUKNDPDISA-N. The full InChI is InChI=1S/C14H16N4/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3/b17-16+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]diazenyl]aniline?
4-[[4-(dimethylamino)phenyl]diazenyl]aniline has a molecular weight of 240.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]diazenyl]aniline is sourced from PubChem (CID 10872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).