2-amino-5-[2-(dimethylamino)anilino]benzonitrile

C15H16N4 — CID 106759433

IUPAC2-amino-5-[2-(dimethylamino)anilino]benzonitrile
SMILESCN(C)c1ccccc1Nc1ccc(N)c(C#N)c1
InChIInChI=1S/C15H16N4/c1-19(2)15-6-4-3-5-14(15)18-12-7-8-13(17)11(9-12)10-16/h3-9,18H,17H2,1-2H3
InChIKeyGALUYYKUAFCKLA-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.95
Rot. Bonds3

About 2-amino-5-[2-(dimethylamino)anilino]benzonitrile

2-amino-5-[2-(dimethylamino)anilino]benzonitrile (PubChem CID 106759433) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-amino-5-[2-(dimethylamino)anilino]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[2-(dimethylamino)anilino]benzonitrile
PubChem CID106759433
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-amino-5-[2-(dimethylamino)anilino]benzonitrile
SMILESCN(C)c1ccccc1Nc1ccc(N)c(C#N)c1
InChIInChI=1S/C15H16N4/c1-19(2)15-6-4-3-5-14(15)18-12-7-8-13(17)11(9-12)10-16/h3-9,18H,17H2,1-2H3
InChIKeyGALUYYKUAFCKLA-UHFFFAOYSA-N
XLogP2.95
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(2-methylanilino)benzonitrile
CID 113323831
4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile
CID 106759948
2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
CID 162352092
2-amino-3-[3-(dimethylamino)-4-methylanilino]benzonitrile
CID 104716981
2-amino-5-(4-bromo-2-cyanoanilino)benzonitrile
CID 82702495
2-amino-5-(3-methylanilino)benzonitrile
CID 113323826
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile
CID 82944887
2-amino-4-[3-(dimethylamino)-4-methylanilino]benzonitrile
CID 115376212
1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 82536487
2-amino-5-(2-bromo-4-fluoroanilino)benzonitrile
CID 115499059
4-amino-3-[2-(dimethylamino)anilino]benzoic acid
CID 106760641
2-amino-5-(2-bromo-4-chloroanilino)benzonitrile
CID 115499677

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(dimethylamino)anilino]benzonitrile?
The IUPAC name of 2-amino-5-[2-(dimethylamino)anilino]benzonitrile (CID 106759433) is 2-amino-5-[2-(dimethylamino)anilino]benzonitrile.
What is the SMILES notation for 2-amino-5-[2-(dimethylamino)anilino]benzonitrile?
The canonical SMILES for 2-amino-5-[2-(dimethylamino)anilino]benzonitrile is CN(C)c1ccccc1Nc1ccc(N)c(C#N)c1.
What is the InChIKey of 2-amino-5-[2-(dimethylamino)anilino]benzonitrile?
The InChIKey is GALUYYKUAFCKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19(2)15-6-4-3-5-14(15)18-12-7-8-13(17)11(9-12)10-16/h3-9,18H,17H2,1-2H3.
What are the key properties of 2-amino-5-[2-(dimethylamino)anilino]benzonitrile?
2-amino-5-[2-(dimethylamino)anilino]benzonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(dimethylamino)anilino]benzonitrile is sourced from PubChem (CID 106759433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).