3-(5-fluoro-2-methylanilino)butanenitrile

C11H13FN2 — CID 60912790

IUPAC3-(5-fluoro-2-methylanilino)butanenitrile
SMILESCc1ccc(F)cc1NC(C)CC#N
InChIInChI=1S/C11H13FN2/c1-8-3-4-10(12)7-11(8)14-9(2)5-6-13/h3-4,7,9,14H,5H2,1-2H3
InChIKeyZHTKVAHKBBJCSO-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.85
Rot. Bonds3

About 3-(5-fluoro-2-methylanilino)butanenitrile

3-(5-fluoro-2-methylanilino)butanenitrile (PubChem CID 60912790) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylanilino)butanenitrile.

Molecular Properties

Compound Name3-(5-fluoro-2-methylanilino)butanenitrile
PubChem CID60912790
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name3-(5-fluoro-2-methylanilino)butanenitrile
SMILESCc1ccc(F)cc1NC(C)CC#N
InChIInChI=1S/C11H13FN2/c1-8-3-4-10(12)7-11(8)14-9(2)5-6-13/h3-4,7,9,14H,5H2,1-2H3
InChIKeyZHTKVAHKBBJCSO-UHFFFAOYSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-fluoro-2-methylanilino)butanenitrile 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

5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
CID 94473006
3-(2,3,5-trifluoroanilino)butanenitrile
CID 62811152
4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
CID 43195440
4-[2-(5-fluoro-2-methylanilino)propyl]phenol
CID 115493921
3-(3,5-difluoroanilino)butanenitrile
CID 60913129
5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
CID 63099917
3-(3-chloro-4-methylanilino)butanenitrile
CID 60913639
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43102776
3-(2-iodoanilino)butanenitrile
CID 60912965
3-[(2-bromo-5-fluorophenyl)methylamino]butanenitrile
CID 61016435
3-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylbenzene-1,3-diamine
CID 55140908

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylanilino)butanenitrile?
The IUPAC name of 3-(5-fluoro-2-methylanilino)butanenitrile (CID 60912790) is 3-(5-fluoro-2-methylanilino)butanenitrile.
What is the SMILES notation for 3-(5-fluoro-2-methylanilino)butanenitrile?
The canonical SMILES for 3-(5-fluoro-2-methylanilino)butanenitrile is Cc1ccc(F)cc1NC(C)CC#N.
What is the InChIKey of 3-(5-fluoro-2-methylanilino)butanenitrile?
The InChIKey is ZHTKVAHKBBJCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-8-3-4-10(12)7-11(8)14-9(2)5-6-13/h3-4,7,9,14H,5H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-methylanilino)butanenitrile?
3-(5-fluoro-2-methylanilino)butanenitrile has a molecular weight of 192.24 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylanilino)butanenitrile is sourced from PubChem (CID 60912790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).