3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile

C15H16N2O2S — CID 103566523

IUPAC3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OC(c2cccs2)C(C)N)c1
InChIInChI=1S/C15H16N2O2S/c1-10(17)15(14-4-3-5-20-14)19-13-7-11(9-16)6-12(8-13)18-2/h3-8,10,15H,17H2,1-2H3
InChIKeyFHEAODVDGYCJKU-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.10
Rot. Bonds5

About 3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile

3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile (PubChem CID 103566523) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile
PubChem CID103566523
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OC(c2cccs2)C(C)N)c1
InChIInChI=1S/C15H16N2O2S/c1-10(17)15(14-4-3-5-20-14)19-13-7-11(9-16)6-12(8-13)18-2/h3-8,10,15H,17H2,1-2H3
InChIKeyFHEAODVDGYCJKU-UHFFFAOYSA-N
XLogP3.10
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-1-thiophen-2-ylbutoxy)-5-methoxybenzonitrile
CID 103566510
3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile
CID 103566567
1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 55020853
[4-(2-amino-1-thiophen-2-ylpropoxy)phenyl]methanol
CID 55021050
1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 55021040
1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine
CID 63458598
3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43192817
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 62670759
4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
CID 54981198
1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine
CID 63038311
3-(difluoromethyl)-5-methoxybenzonitrile
CID 68719258
3-[2-amino-1-(2-methylphenyl)ethoxy]-5-methoxybenzonitrile
CID 103566569

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile?
The IUPAC name of 3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile (CID 103566523) is 3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile.
What is the SMILES notation for 3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile?
The canonical SMILES for 3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile is COc1cc(C#N)cc(OC(c2cccs2)C(C)N)c1.
What is the InChIKey of 3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile?
The InChIKey is FHEAODVDGYCJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10(17)15(14-4-3-5-20-14)19-13-7-11(9-16)6-12(8-13)18-2/h3-8,10,15H,17H2,1-2H3.
What are the key properties of 3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile?
3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile has a molecular weight of 288.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile is sourced from PubChem (CID 103566523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).