3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile

C15H15FN2S — CID 102815767

IUPAC3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
SMILESCC(C)C(Nc1cc(F)cc(C#N)c1)c1cccs1
InChIInChI=1S/C15H15FN2S/c1-10(2)15(14-4-3-5-19-14)18-13-7-11(9-17)6-12(16)8-13/h3-8,10,15,18H,1-2H3
InChIKeyHSELMLVDEWKULV-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.57
Rot. Bonds4

About 3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile

3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile (PubChem CID 102815767) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
PubChem CID102815767
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
SMILESCC(C)C(Nc1cc(F)cc(C#N)c1)c1cccs1
InChIInChI=1S/C15H15FN2S/c1-10(2)15(14-4-3-5-19-14)18-13-7-11(9-17)6-12(16)8-13/h3-8,10,15,18H,1-2H3
InChIKeyHSELMLVDEWKULV-UHFFFAOYSA-N
XLogP4.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43762497
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348
2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 107933549
3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 102815738
4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65437692
2-[4-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenoxy]acetonitrile
CID 43767915
5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 103467928
3-fluoro-5-(2-methylsulfanylanilino)benzonitrile
CID 107644883
methyl 2-(3-cyano-5-fluoroanilino)-3-methylbutanoate
CID 102815971
5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 107927221

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
The IUPAC name of 3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile (CID 102815767) is 3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
The canonical SMILES for 3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile is CC(C)C(Nc1cc(F)cc(C#N)c1)c1cccs1.
What is the InChIKey of 3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
The InChIKey is HSELMLVDEWKULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-10(2)15(14-4-3-5-19-14)18-13-7-11(9-17)6-12(16)8-13/h3-8,10,15,18H,1-2H3.
What are the key properties of 3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile has a molecular weight of 274.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile is sourced from PubChem (CID 102815767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).