4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile

C16H15FN2 — CID 63511993

IUPAC4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile
SMILESCCN(c1ccc(C)cc1)c1ccc(C#N)cc1F
InChIInChI=1S/C16H15FN2/c1-3-19(14-7-4-12(2)5-8-14)16-9-6-13(11-18)10-15(16)17/h4-10H,3H2,1-2H3
InChIKeyDTZCYNBWGFBHTB-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.16
Rot. Bonds3

About 4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile

4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile (PubChem CID 63511993) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile
PubChem CID63511993
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile
SMILESCCN(c1ccc(C)cc1)c1ccc(C#N)cc1F
InChIInChI=1S/C16H15FN2/c1-3-19(14-7-4-12(2)5-8-14)16-9-6-13(11-18)10-15(16)17/h4-10H,3H2,1-2H3
InChIKeyDTZCYNBWGFBHTB-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

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Related Compounds

5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile
CID 63512322
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905
2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile
CID 63512162
4-(4-cyano-N-ethylanilino)benzonitrile
CID 102137566
4-[N-(2-cyanoethyl)anilino]-3-fluorobenzonitrile
CID 43656974
3-bromo-5-(N-ethyl-4-methylanilino)benzonitrile
CID 102816098
3-chloro-4-(N-ethyl-2-fluoroanilino)benzonitrile
CID 63509825
3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile
CID 63510151
4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile
CID 81283762
4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
CID 61447013
[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol
CID 114845519
3-fluoro-4-[(N,3,5-trimethylanilino)methyl]benzonitrile
CID 61036267

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile?
The IUPAC name of 4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile (CID 63511993) is 4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile?
The canonical SMILES for 4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile is CCN(c1ccc(C)cc1)c1ccc(C#N)cc1F.
What is the InChIKey of 4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile?
The InChIKey is DTZCYNBWGFBHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-3-19(14-7-4-12(2)5-8-14)16-9-6-13(11-18)10-15(16)17/h4-10H,3H2,1-2H3.
What are the key properties of 4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile?
4-(N-ethyl-4-methylanilino)-3-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 4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile is sourced from PubChem (CID 63511993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).