2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile

C15H16N2S — CID 62415861

IUPAC2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESCCc1ccccc1C(C#N)NCc1cccs1
InChIInChI=1S/C15H16N2S/c1-2-12-6-3-4-8-14(12)15(10-16)17-11-13-7-5-9-18-13/h3-9,15,17H,2,11H2,1H3
InChIKeySVDOMZPLYTVLDI-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.66
Rot. Bonds5

About 2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile

2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile (PubChem CID 62415861) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
PubChem CID62415861
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESCCc1ccccc1C(C#N)NCc1cccs1
InChIInChI=1S/C15H16N2S/c1-2-12-6-3-4-8-14(12)15(10-16)17-11-13-7-5-9-18-13/h3-9,15,17H,2,11H2,1H3
InChIKeySVDOMZPLYTVLDI-UHFFFAOYSA-N
XLogP3.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887054
3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61318743
2-(4-tert-butylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005238
2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887098
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 64509506
2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 106528833
2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile
CID 62414881
2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104822436
[1-(2-ethylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105295586
4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61005240
2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104816461
2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887515

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile (CID 62415861) is 2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile is CCc1ccccc1C(C#N)NCc1cccs1.
What is the InChIKey of 2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The InChIKey is SVDOMZPLYTVLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-2-12-6-3-4-8-14(12)15(10-16)17-11-13-7-5-9-18-13/h3-9,15,17H,2,11H2,1H3.
What are the key properties of 2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile has a molecular weight of 256.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 62415861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).