3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline

C16H17N3 — CID 102247917

IUPAC3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline
SMILESC=Cc1cc(N(C)C)ccc1/N=N/c1ccccc1
InChIInChI=1S/C16H17N3/c1-4-13-12-15(19(2)3)10-11-16(13)18-17-14-8-6-5-7-9-14/h4-12H,1H2,2-3H3/b18-17+
InChIKeyYAMSKMKZHRNMHD-ISLYRVAYSA-N
MW251.33 g/mol
LogP4.81
Rot. Bonds4

About 3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline

3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline (PubChem CID 102247917) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline.

Molecular Properties

Compound Name3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline
PubChem CID102247917
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline
SMILESC=Cc1cc(N(C)C)ccc1/N=N/c1ccccc1
InChIInChI=1S/C16H17N3/c1-4-13-12-15(19(2)3)10-11-16(13)18-17-14-8-6-5-7-9-14/h4-12H,1H2,2-3H3/b18-17+
InChIKeyYAMSKMKZHRNMHD-ISLYRVAYSA-N
XLogP4.81
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethenyl-N,N-dimethyl-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

Related Compounds

N,N-dimethyl-3-phenyldiazenylaniline;formamide
CID 175320488
4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline
CID 57303024
4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline
CID 13007572
4-[(2-methoxyphenyl)diazenyl]-N,N-dimethylaniline
CID 18161
4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine
CID 154137227
N-methyl-N-(4-phenyldiazenylphenyl)formamide
CID 20987
4-[(1-ethylpyridin-1-ium-3-yl)diazenyl]-N,N,3-trimethylaniline
CID 18720653
diphenyldiazene;1-ethenyl-2-nitrobenzene
CID 175087303
5-(dimethylamino)-2-nitrosobenzaldehyde
CID 5235856
6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol
CID 152519081
4-[[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]diazenyl]-N,N-dimethylaniline
CID 90129084
5-(dimethylamino)-2-[(4-sulfophenyl)diazenyl]benzoic acid
CID 86059603

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline?
The IUPAC name of 3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline (CID 102247917) is 3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline.
What is the SMILES notation for 3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline?
The canonical SMILES for 3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline is C=Cc1cc(N(C)C)ccc1/N=N/c1ccccc1.
What is the InChIKey of 3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline?
The InChIKey is YAMSKMKZHRNMHD-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H17N3/c1-4-13-12-15(19(2)3)10-11-16(13)18-17-14-8-6-5-7-9-14/h4-12H,1H2,2-3H3/b18-17+.
What are the key properties of 3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline?
3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline has a molecular weight of 251.33 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline is sourced from PubChem (CID 102247917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).