5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile

C15H16N2OS — CID 79545419

IUPAC5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile
SMILESCOc1ccccc1C(C)NCc1cc(C#N)cs1
InChIInChI=1S/C15H16N2OS/c1-11(14-5-3-4-6-15(14)18-2)17-9-13-7-12(8-16)10-19-13/h3-7,10-11,17H,9H2,1-2H3
InChIKeyBHOJGUXSSCXGPE-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.48
Rot. Bonds5

About 5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile

5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile (PubChem CID 79545419) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile
PubChem CID79545419
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile
SMILESCOc1ccccc1C(C)NCc1cc(C#N)cs1
InChIInChI=1S/C15H16N2OS/c1-11(14-5-3-4-6-15(14)18-2)17-9-13-7-12(8-16)10-19-13/h3-7,10-11,17H,9H2,1-2H3
InChIKeyBHOJGUXSSCXGPE-UHFFFAOYSA-N
XLogP3.48
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
CID 81380013
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
CID 81376652
5-[(2-propan-2-ylanilino)methyl]thiophene-3-carbonitrile
CID 79605584
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]thiophene-3-carbonitrile
CID 79552930
5-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophene-3-carbonitrile
CID 79544750
N-[(4-bromothiophen-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43612823
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43180928
5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile
CID 79553082
3-[1-(2-methoxyphenyl)ethylamino]propanenitrile
CID 43183181
4-fluoro-2-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]benzonitrile
CID 107904601
4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203461
4-fluoro-2-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]benzonitrile
CID 107904599

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile (CID 79545419) is 5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile is COc1ccccc1C(C)NCc1cc(C#N)cs1.
What is the InChIKey of 5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile?
The InChIKey is BHOJGUXSSCXGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11(14-5-3-4-6-15(14)18-2)17-9-13-7-12(8-16)10-19-13/h3-7,10-11,17H,9H2,1-2H3.
What are the key properties of 5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile?
5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile has a molecular weight of 272.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79545419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).