N,N-diethyl-4-phenyldiazenylaniline

C16H19N3 — CID 17204

IUPACN,N-diethyl-4-phenyldiazenylaniline
SMILESCCN(CC)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/b18-17+
InChIKeySJJISKLXUJVZOA-ISLYRVAYSA-N
MW253.35 g/mol
LogP4.95
Rot. Bonds5

About N,N-diethyl-4-phenyldiazenylaniline

N,N-diethyl-4-phenyldiazenylaniline (PubChem CID 17204) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N,N-diethyl-4-phenyldiazenylaniline.

Molecular Properties

Compound NameN,N-diethyl-4-phenyldiazenylaniline
PubChem CID17204
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN,N-diethyl-4-phenyldiazenylaniline
SMILESCCN(CC)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/b18-17+
InChIKeySJJISKLXUJVZOA-ISLYRVAYSA-N
XLogP4.95
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.95
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'}

Analyze N,N-diethyl-4-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 N,N-diethyl-4-phenyldiazenylaniline?
The IUPAC name of N,N-diethyl-4-phenyldiazenylaniline (CID 17204) is N,N-diethyl-4-phenyldiazenylaniline.
What is the SMILES notation for N,N-diethyl-4-phenyldiazenylaniline?
The canonical SMILES for N,N-diethyl-4-phenyldiazenylaniline is CCN(CC)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-phenyldiazenylaniline?
The InChIKey is SJJISKLXUJVZOA-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/b18-17+.
What are the key properties of N,N-diethyl-4-phenyldiazenylaniline?
N,N-diethyl-4-phenyldiazenylaniline has a molecular weight of 253.35 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-phenyldiazenylaniline is sourced from PubChem (CID 17204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).