1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine

C16H21NO2S — CID 43206054

IUPAC1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
SMILESCOc1ccc(C(C)NC(C)c2cccs2)c(OC)c1
InChIInChI=1S/C16H21NO2S/c1-11(17-12(2)16-6-5-9-20-16)14-8-7-13(18-3)10-15(14)19-4/h5-12,17H,1-4H3
InChIKeyJHXJDWABSAJYON-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.18
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine

1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine (PubChem CID 43206054) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
PubChem CID43206054
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
SMILESCOc1ccc(C(C)NC(C)c2cccs2)c(OC)c1
InChIInChI=1S/C16H21NO2S/c1-11(17-12(2)16-6-5-9-20-16)14-8-7-13(18-3)10-15(14)19-4/h5-12,17H,1-4H3
InChIKeyJHXJDWABSAJYON-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43770306
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 97322629
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81399004
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol
CID 115722852
1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43481960
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
4-[1-(1-thiophen-2-ylethylamino)ethyl]benzene-1,3-diol
CID 43206010
N-[1-(2,4-dimethoxyphenyl)ethyl]thiophen-3-amine
CID 66351681
3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43192817
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111331043

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine (CID 43206054) is 1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine is COc1ccc(C(C)NC(C)c2cccs2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The InChIKey is JHXJDWABSAJYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-11(17-12(2)16-6-5-9-20-16)14-8-7-13(18-3)10-15(14)19-4/h5-12,17H,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine has a molecular weight of 291.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 43206054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).