N-methyl-4-phenyldiazenylaniline

C13H13N3 — CID 12137

IUPACN-methyl-4-phenyldiazenylaniline
SMILESCNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H13N3/c1-14-11-7-9-13(10-8-11)16-15-12-5-3-2-4-6-12/h2-10,14H,1H3/b16-15+
InChIKeyDKOXITJAUZNAPK-FOCLMDBBSA-N
MW211.27 g/mol
LogP4.14
Rot. Bonds3

About N-methyl-4-phenyldiazenylaniline

N-methyl-4-phenyldiazenylaniline (PubChem CID 12137) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is N-methyl-4-phenyldiazenylaniline.

Molecular Properties

Compound NameN-methyl-4-phenyldiazenylaniline
PubChem CID12137
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC NameN-methyl-4-phenyldiazenylaniline
SMILESCNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H13N3/c1-14-11-7-9-13(10-8-11)16-15-12-5-3-2-4-6-12/h2-10,14H,1H3/b16-15+
InChIKeyDKOXITJAUZNAPK-FOCLMDBBSA-N
XLogP4.14
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
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 N-methyl-4-phenyldiazenylaniline?
The IUPAC name of N-methyl-4-phenyldiazenylaniline (CID 12137) is N-methyl-4-phenyldiazenylaniline.
What is the SMILES notation for N-methyl-4-phenyldiazenylaniline?
The canonical SMILES for N-methyl-4-phenyldiazenylaniline is CNc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-phenyldiazenylaniline?
The InChIKey is DKOXITJAUZNAPK-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H13N3/c1-14-11-7-9-13(10-8-11)16-15-12-5-3-2-4-6-12/h2-10,14H,1H3/b16-15+.
What are the key properties of N-methyl-4-phenyldiazenylaniline?
N-methyl-4-phenyldiazenylaniline has a molecular weight of 211.27 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyldiazenylaniline is sourced from PubChem (CID 12137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).