4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile

C14H14N2S — CID 54981198

IUPAC4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
SMILESCC(c1cccs1)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C14H14N2S/c1-11(14-4-3-9-17-14)16(2)13-7-5-12(10-15)6-8-13/h3-9,11H,1-2H3
InChIKeyAGOSDROUBAVKEV-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.82
Rot. Bonds3

About 4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile

4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile (PubChem CID 54981198) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
PubChem CID54981198
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
SMILESCC(c1cccs1)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C14H14N2S/c1-11(14-4-3-9-17-14)16(2)13-7-5-12(10-15)6-8-13/h3-9,11H,1-2H3
InChIKeyAGOSDROUBAVKEV-UHFFFAOYSA-N
XLogP3.82
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 63794024
4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
CID 54980639
2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide
CID 115287216
2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 55234561
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
4-[1-(3-aminophenyl)ethyl-methylamino]benzonitrile
CID 60869632
4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile
CID 43205885
(1R)-1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131618
1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131534
2-propan-2-ylthiophene
CID 178128598
1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone
CID 79600580
4-[[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]methyl]benzonitrile
CID 97021415

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile?
The IUPAC name of 4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile (CID 54981198) is 4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile.
What is the SMILES notation for 4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile?
The canonical SMILES for 4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile is CC(c1cccs1)N(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile?
The InChIKey is AGOSDROUBAVKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-11(14-4-3-9-17-14)16(2)13-7-5-12(10-15)6-8-13/h3-9,11H,1-2H3.
What are the key properties of 4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile?
4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile has a molecular weight of 242.35 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile is sourced from PubChem (CID 54981198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).