4,5-dimethyl-2-phenyldiazenylaniline

C14H15N3 — CID 88743909

IUPAC4,5-dimethyl-2-phenyldiazenylaniline
SMILESCc1cc(N)c(/N=N/c2ccccc2)cc1C
InChIInChI=1S/C14H15N3/c1-10-8-13(15)14(9-11(10)2)17-16-12-6-4-3-5-7-12/h3-9H,15H2,1-2H3/b17-16+
InChIKeyODPQPHQZINERGF-WUKNDPDISA-N
MW225.29 g/mol
LogP4.30
Rot. Bonds2

About 4,5-dimethyl-2-phenyldiazenylaniline

4,5-dimethyl-2-phenyldiazenylaniline (PubChem CID 88743909) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4,5-dimethyl-2-phenyldiazenylaniline.

Molecular Properties

Compound Name4,5-dimethyl-2-phenyldiazenylaniline
PubChem CID88743909
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name4,5-dimethyl-2-phenyldiazenylaniline
SMILESCc1cc(N)c(/N=N/c2ccccc2)cc1C
InChIInChI=1S/C14H15N3/c1-10-8-13(15)14(9-11(10)2)17-16-12-6-4-3-5-7-12/h3-9H,15H2,1-2H3/b17-16+
InChIKeyODPQPHQZINERGF-WUKNDPDISA-N
XLogP4.30
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4,5-dimethyl-2-phenyldiazenylaniline 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 4,5-dimethyl-2-phenyldiazenylaniline?
The IUPAC name of 4,5-dimethyl-2-phenyldiazenylaniline (CID 88743909) is 4,5-dimethyl-2-phenyldiazenylaniline.
What is the SMILES notation for 4,5-dimethyl-2-phenyldiazenylaniline?
The canonical SMILES for 4,5-dimethyl-2-phenyldiazenylaniline is Cc1cc(N)c(/N=N/c2ccccc2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-phenyldiazenylaniline?
The InChIKey is ODPQPHQZINERGF-WUKNDPDISA-N. The full InChI is InChI=1S/C14H15N3/c1-10-8-13(15)14(9-11(10)2)17-16-12-6-4-3-5-7-12/h3-9H,15H2,1-2H3/b17-16+.
What are the key properties of 4,5-dimethyl-2-phenyldiazenylaniline?
4,5-dimethyl-2-phenyldiazenylaniline has a molecular weight of 225.29 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-phenyldiazenylaniline is sourced from PubChem (CID 88743909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).