N,N-dimethyl-4-phenyldiazenylaniline

C14H15N3 — CID 6053

IUPACN,N-dimethyl-4-phenyldiazenylaniline
SMILESCN(C)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3/b16-15+
InChIKeyJCYPECIVGRXBMO-FOCLMDBBSA-N
MW225.29 g/mol
LogP4.17
Rot. Bonds3

About N,N-dimethyl-4-phenyldiazenylaniline

N,N-dimethyl-4-phenyldiazenylaniline (PubChem CID 6053) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N,N-dimethyl-4-phenyldiazenylaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-phenyldiazenylaniline
PubChem CID6053
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC NameN,N-dimethyl-4-phenyldiazenylaniline
SMILESCN(C)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3/b16-15+
InChIKeyJCYPECIVGRXBMO-FOCLMDBBSA-N
XLogP4.17
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 54.17
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'}

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Related Compounds

N,N-Dimethylaniline
CID 949
N-Phenyl-p-phenylenediamine
CID 7564
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N,N-dimethyl-4-nitrosoaniline
CID 8749
N,N-dimethyl-p-phenylenediamine
CID 7472
N,N-Diethyl-p-phenylenediamine
CID 7120
Fenaminosulf
CID 23668198
N,N-Diethylaniline
CID 7061
N-Methyl-N-nitrosoaniline
CID 11957
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
N,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamine
CID 5934
Trimethylphenylammonium iodide
CID 94135

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenyldiazenylaniline?
The IUPAC name of N,N-dimethyl-4-phenyldiazenylaniline (CID 6053) is N,N-dimethyl-4-phenyldiazenylaniline.
What is the SMILES notation for N,N-dimethyl-4-phenyldiazenylaniline?
The canonical SMILES for N,N-dimethyl-4-phenyldiazenylaniline is CN(C)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-phenyldiazenylaniline?
The InChIKey is JCYPECIVGRXBMO-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3/b16-15+.
What are the key properties of N,N-dimethyl-4-phenyldiazenylaniline?
N,N-dimethyl-4-phenyldiazenylaniline has a molecular weight of 225.29 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phenyldiazenylaniline is sourced from PubChem (CID 6053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).