3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile

C16H18N2S — CID 43783100

IUPAC3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile
SMILESCC(Cc1cccs1)NC(C)c1cccc(C#N)c1
InChIInChI=1S/C16H18N2S/c1-12(9-16-7-4-8-19-16)18-13(2)15-6-3-5-14(10-15)11-17/h3-8,10,12-13,18H,9H2,1-2H3
InChIKeyQOGUQBZDHWBUGB-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.90
Rot. Bonds5

About 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile

3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile (PubChem CID 43783100) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile
PubChem CID43783100
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile
SMILESCC(Cc1cccs1)NC(C)c1cccc(C#N)c1
InChIInChI=1S/C16H18N2S/c1-12(9-16-7-4-8-19-16)18-13(2)15-6-3-5-14(10-15)11-17/h3-8,10,12-13,18H,9H2,1-2H3
InChIKeyQOGUQBZDHWBUGB-UHFFFAOYSA-N
XLogP3.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43783062
3-[1-(4-methylpentan-2-ylamino)ethyl]benzonitrile
CID 43775771
N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide
CID 43692638
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 43783025
3-[1-(1-phenylethylamino)ethyl]benzonitrile
CID 43755971
3-[1-(4-methylsulfanylbutan-2-ylamino)ethyl]benzonitrile
CID 115905872
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
3-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81364071
3-[1-(3-methylpentan-2-ylamino)ethyl]benzonitrile
CID 54950155
3-[1-(cyanomethylamino)ethyl]benzonitrile
CID 130736059
3-[1-(1-methylsulfanylbutan-2-ylamino)ethyl]benzonitrile
CID 113352271
N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43692689

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile?
The IUPAC name of 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile (CID 43783100) is 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile.
What is the SMILES notation for 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile?
The canonical SMILES for 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile is CC(Cc1cccs1)NC(C)c1cccc(C#N)c1.
What is the InChIKey of 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile?
The InChIKey is QOGUQBZDHWBUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-12(9-16-7-4-8-19-16)18-13(2)15-6-3-5-14(10-15)11-17/h3-8,10,12-13,18H,9H2,1-2H3.
What are the key properties of 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile?
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile has a molecular weight of 270.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile is sourced from PubChem (CID 43783100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).