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

C14H14N2S — CID 79494134

IUPAC2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
SMILESCN(CCc1cccs1)c1ccccc1C#N
InChIInChI=1S/C14H14N2S/c1-16(9-8-13-6-4-10-17-13)14-7-3-2-5-12(14)11-15/h2-7,10H,8-9H2,1H3
InChIKeyVSMNHBAHHBDZPI-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.30
Rot. Bonds4

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

2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile (PubChem CID 79494134) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
PubChem CID79494134
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
SMILESCN(CCc1cccs1)c1ccccc1C#N
InChIInChI=1S/C14H14N2S/c1-16(9-8-13-6-4-10-17-13)14-7-3-2-5-12(14)11-15/h2-7,10H,8-9H2,1H3
InChIKeyVSMNHBAHHBDZPI-UHFFFAOYSA-N
XLogP3.30
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 114881184
2-chloro-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79033362
2-bromo-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 107276512
3-chloro-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494133
2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 55247342
(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79476383
2-[9-bromononyl(methyl)amino]benzonitrile
CID 105343840
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352
2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
CID 103758567
2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 43009194
2,3-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 107933368

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile?
The IUPAC name of 2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile (CID 79494134) is 2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile.
What is the SMILES notation for 2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile?
The canonical SMILES for 2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile is CN(CCc1cccs1)c1ccccc1C#N.
What is the InChIKey of 2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile?
The InChIKey is VSMNHBAHHBDZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-16(9-8-13-6-4-10-17-13)14-7-3-2-5-12(14)11-15/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile?
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile has a molecular weight of 242.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile is sourced from PubChem (CID 79494134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).