2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile

C15H15FN2S — CID 103758567

IUPAC2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
SMILESCN(CCc1cccs1)Cc1ccc(F)c(C#N)c1
InChIInChI=1S/C15H15FN2S/c1-18(7-6-14-3-2-8-19-14)11-12-4-5-15(16)13(9-12)10-17/h2-5,8-9H,6-7,11H2,1H3
InChIKeyOTAJAILXNOXARZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.43
Rot. Bonds5

About 2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile

2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile (PubChem CID 103758567) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
PubChem CID103758567
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
SMILESCN(CCc1cccs1)Cc1ccc(F)c(C#N)c1
InChIInChI=1S/C15H15FN2S/c1-18(7-6-14-3-2-8-19-14)11-12-4-5-15(16)13(9-12)10-17/h2-5,8-9H,6-7,11H2,1H3
InChIKeyOTAJAILXNOXARZ-UHFFFAOYSA-N
XLogP3.43
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]benzonitrile
CID 113256156
2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]benzonitrile
CID 103758430
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864
2-fluoro-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]benzonitrile
CID 103758436
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352
2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 79476185
2-chloro-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79033362
2-bromo-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 107276512
2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 103758312
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79038374
3-[3-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 79699231

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile (CID 103758567) is 2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile is CN(CCc1cccs1)Cc1ccc(F)c(C#N)c1.
What is the InChIKey of 2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile?
The InChIKey is OTAJAILXNOXARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-18(7-6-14-3-2-8-19-14)11-12-4-5-15(16)13(9-12)10-17/h2-5,8-9H,6-7,11H2,1H3.
What are the key properties of 2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile?
2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile has a molecular weight of 274.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 103758567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).