4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile

C16H15FN2 — CID 43195440

IUPAC4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
SMILESCc1ccc(F)cc1NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C16H15FN2/c1-11-3-8-15(17)9-16(11)19-12(2)14-6-4-13(10-18)5-7-14/h3-9,12,19H,1-2H3
InChIKeyVVEAHRDKNXLYLA-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.18
Rot. Bonds3

About 4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile

4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile (PubChem CID 43195440) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
PubChem CID43195440
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
SMILESCc1ccc(F)cc1NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C16H15FN2/c1-11-3-8-15(17)9-16(11)19-12(2)14-6-4-13(10-18)5-7-14/h3-9,12,19H,1-2H3
InChIKeyVVEAHRDKNXLYLA-UHFFFAOYSA-N
XLogP4.18
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43109585
4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 63476911
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
CID 107705061
5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43097181
5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43104040
4-[1-(2,6-difluoro-3-methylanilino)ethyl]benzonitrile
CID 82818775
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43107692
4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile
CID 43111374
5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
CID 113354817
3-(5-fluoro-2-methylanilino)butanenitrile
CID 60912790
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43093379

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile?
The IUPAC name of 4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile (CID 43195440) is 4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile.
What is the SMILES notation for 4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile?
The canonical SMILES for 4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile is Cc1ccc(F)cc1NC(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile?
The InChIKey is VVEAHRDKNXLYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-11-3-8-15(17)9-16(11)19-12(2)14-6-4-13(10-18)5-7-14/h3-9,12,19H,1-2H3.
What are the key properties of 4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile?
4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile has a molecular weight of 254.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile is sourced from PubChem (CID 43195440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).