4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile

C15H14FN3 — CID 106759948

IUPAC4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile
SMILESCN(C)c1ccccc1Nc1ccc(C#N)c(F)c1
InChIInChI=1S/C15H14FN3/c1-19(2)15-6-4-3-5-14(15)18-12-8-7-11(10-17)13(16)9-12/h3-9,18H,1-2H3
InChIKeyRGMBQRAUTOPFLB-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.51
Rot. Bonds3

About 4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile

4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile (PubChem CID 106759948) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile
PubChem CID106759948
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile
SMILESCN(C)c1ccccc1Nc1ccc(C#N)c(F)c1
InChIInChI=1S/C15H14FN3/c1-19(2)15-6-4-3-5-14(15)18-12-8-7-11(10-17)13(16)9-12/h3-9,18H,1-2H3
InChIKeyRGMBQRAUTOPFLB-UHFFFAOYSA-N
XLogP3.51
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile 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

2-amino-5-[2-(dimethylamino)anilino]benzonitrile
CID 106759433
2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
CID 113295636
4-(2,5-dimethylanilino)-2-fluorobenzonitrile
CID 115367051
4-(3,4-dimethylanilino)-2-fluorobenzonitrile
CID 113295516
4-(4-bromo-2,5-difluoroanilino)-2-fluorobenzonitrile
CID 107612112
2-fluoro-4-(3-iodoanilino)benzonitrile
CID 113295528
1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 82536487
2-amino-3-[3-(dimethylamino)-4-methylanilino]benzonitrile
CID 104716981
4-(4-bromo-2-chloroanilino)-2-fluorobenzonitrile
CID 113295531
1-N-[2-(dimethylamino)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 106759464
4-(1,3-benzodioxol-5-ylamino)-2-fluorobenzonitrile
CID 115367105
2-fluoro-4-(4-methylsulfonylanilino)benzonitrile
CID 115367088

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile?
The IUPAC name of 4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile (CID 106759948) is 4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile?
The canonical SMILES for 4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile is CN(C)c1ccccc1Nc1ccc(C#N)c(F)c1.
What is the InChIKey of 4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile?
The InChIKey is RGMBQRAUTOPFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-19(2)15-6-4-3-5-14(15)18-12-8-7-11(10-17)13(16)9-12/h3-9,18H,1-2H3.
What are the key properties of 4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile?
4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile has a molecular weight of 255.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile is sourced from PubChem (CID 106759948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).