2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile

C16H15FN2 — CID 79512628

IUPAC2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile
SMILESCCN(c1cccc(C)c1)c1cccc(F)c1C#N
InChIInChI=1S/C16H15FN2/c1-3-19(13-7-4-6-12(2)10-13)16-9-5-8-15(17)14(16)11-18/h4-10H,3H2,1-2H3
InChIKeyMKKDNPUOLKASPJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.16
Rot. Bonds3

About 2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile

2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile (PubChem CID 79512628) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile
PubChem CID79512628
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile
SMILESCCN(c1cccc(C)c1)c1cccc(F)c1C#N
InChIInChI=1S/C16H15FN2/c1-3-19(13-7-4-6-12(2)10-13)16-9-5-8-15(17)14(16)11-18/h4-10H,3H2,1-2H3
InChIKeyMKKDNPUOLKASPJ-UHFFFAOYSA-N
XLogP4.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(N-ethyl-3-methylanilino)-6-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-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile
CID 79513025
2-amino-3-(N-ethyl-3-methylanilino)benzonitrile
CID 104716397
(1R)-1-[2-(N-ethyl-3-methylanilino)-6-fluorophenyl]ethanol
CID 63371105
2-(N-ethyl-3-methylanilino)-6-fluorobenzoic acid
CID 79523101
2-fluoro-6-(N,3,5-trimethylanilino)benzonitrile
CID 79513658
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060103
2-(bromomethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 107080798
2-[butan-2-yl(ethyl)amino]-6-fluorobenzonitrile
CID 79512921
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline
CID 78934620
2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile
CID 79513741
4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile
CID 115367385

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile (CID 79512628) is 2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile is CCN(c1cccc(C)c1)c1cccc(F)c1C#N.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile?
The InChIKey is MKKDNPUOLKASPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-3-19(13-7-4-6-12(2)10-13)16-9-5-8-15(17)14(16)11-18/h4-10H,3H2,1-2H3.
What are the key properties of 2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile?
2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile has a molecular weight of 254.31 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 79512628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).