2-diazenyl-5-methyl-N-phenylaniline

C13H13N3 — CID 146593829

IUPAC2-diazenyl-5-methyl-N-phenylaniline
SMILES[H]/N=N/c1ccc(C)cc1Nc1ccccc1
InChIInChI=1S/C13H13N3/c1-10-7-8-12(16-14)13(9-10)15-11-5-3-2-4-6-11/h2-9,14-15H,1H3/b16-14+
InChIKeyKUDCLCVTWVUFER-JQIJEIRASA-N
MW211.27 g/mol
LogP4.40
Rot. Bonds3

About 2-diazenyl-5-methyl-N-phenylaniline

2-diazenyl-5-methyl-N-phenylaniline (PubChem CID 146593829) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-diazenyl-5-methyl-N-phenylaniline.

Molecular Properties

Compound Name2-diazenyl-5-methyl-N-phenylaniline
PubChem CID146593829
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-diazenyl-5-methyl-N-phenylaniline
SMILES[H]/N=N/c1ccc(C)cc1Nc1ccccc1
InChIInChI=1S/C13H13N3/c1-10-7-8-12(16-14)13(9-10)15-11-5-3-2-4-6-11/h2-9,14-15H,1H3/b16-14+
InChIKeyKUDCLCVTWVUFER-JQIJEIRASA-N
XLogP4.40
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-diazenyl-5-methyl-N-phenylaniline?
The IUPAC name of 2-diazenyl-5-methyl-N-phenylaniline (CID 146593829) is 2-diazenyl-5-methyl-N-phenylaniline.
What is the SMILES notation for 2-diazenyl-5-methyl-N-phenylaniline?
The canonical SMILES for 2-diazenyl-5-methyl-N-phenylaniline is [H]/N=N/c1ccc(C)cc1Nc1ccccc1.
What is the InChIKey of 2-diazenyl-5-methyl-N-phenylaniline?
The InChIKey is KUDCLCVTWVUFER-JQIJEIRASA-N. The full InChI is InChI=1S/C13H13N3/c1-10-7-8-12(16-14)13(9-10)15-11-5-3-2-4-6-11/h2-9,14-15H,1H3/b16-14+.
What are the key properties of 2-diazenyl-5-methyl-N-phenylaniline?
2-diazenyl-5-methyl-N-phenylaniline has a molecular weight of 211.27 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenyl-5-methyl-N-phenylaniline is sourced from PubChem (CID 146593829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).