4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile

C15H16N2S — CID 81281827

IUPAC4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile
SMILESCCN(Cc1cccs1)c1ccc(C#N)c(C)c1
InChIInChI=1S/C15H16N2S/c1-3-17(11-15-5-4-8-18-15)14-7-6-13(10-16)12(2)9-14/h4-9H,3,11H2,1-2H3
InChIKeyBZMLTZVWWUBKEE-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.95
Rot. Bonds4

About 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile

4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile (PubChem CID 81281827) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile
PubChem CID81281827
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile
SMILESCCN(Cc1cccs1)c1ccc(C#N)c(C)c1
InChIInChI=1S/C15H16N2S/c1-3-17(11-15-5-4-8-18-15)14-7-6-13(10-16)12(2)9-14/h4-9H,3,11H2,1-2H3
InChIKeyBZMLTZVWWUBKEE-UHFFFAOYSA-N
XLogP3.95
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 62135933
4-[(3-aminophenyl)methyl-ethylamino]-2-methylbenzonitrile
CID 81278698
2-[2-amino-5-[ethyl(thiophen-2-ylmethyl)amino]phenyl]acetonitrile
CID 102624009
3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 82797609
4-N-ethyl-4-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61436657
3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 82817692
2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60970108
5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63751809
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 102813648
4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide
CID 115368028
5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467817
2-bromo-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 107276512

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile?
The IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile (CID 81281827) is 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile.
What is the SMILES notation for 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile?
The canonical SMILES for 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile is CCN(Cc1cccs1)c1ccc(C#N)c(C)c1.
What is the InChIKey of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile?
The InChIKey is BZMLTZVWWUBKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-3-17(11-15-5-4-8-18-15)14-7-6-13(10-16)12(2)9-14/h4-9H,3,11H2,1-2H3.
What are the key properties of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile?
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile has a molecular weight of 256.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzonitrile is sourced from PubChem (CID 81281827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).