2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine

C16H21NO2S — CID 137354599

IUPAC2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine
SMILESCCc1csc(CCN)c1-c1cc(OC)ccc1OC
InChIInChI=1S/C16H21NO2S/c1-4-11-10-20-15(7-8-17)16(11)13-9-12(18-2)5-6-14(13)19-3/h5-6,9-10H,4,7-8,17H2,1-3H3
InChIKeyLHPLHUIACGKYBC-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.50
Rot. Bonds6

About 2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine

2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine (PubChem CID 137354599) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine
PubChem CID137354599
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine
SMILESCCc1csc(CCN)c1-c1cc(OC)ccc1OC
InChIInChI=1S/C16H21NO2S/c1-4-11-10-20-15(7-8-17)16(11)13-9-12(18-2)5-6-14(13)19-3/h5-6,9-10H,4,7-8,17H2,1-3H3
InChIKeyLHPLHUIACGKYBC-UHFFFAOYSA-N
XLogP3.50
TPSA44.48 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine
CID 137354597
methyl 2-amino-4-(2,5-dimethoxyphenyl)-5-ethylthiophene-3-carboxylate
CID 92936606
2-[4-(2,5-dimethoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 95475597
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008127
2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 94693410
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
[4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
CID 82487477
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286773
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine?
The IUPAC name of 2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine (CID 137354599) is 2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine.
What is the SMILES notation for 2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine?
The canonical SMILES for 2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine is CCc1csc(CCN)c1-c1cc(OC)ccc1OC.
What is the InChIKey of 2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine?
The InChIKey is LHPLHUIACGKYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-4-11-10-20-15(7-8-17)16(11)13-9-12(18-2)5-6-14(13)19-3/h5-6,9-10H,4,7-8,17H2,1-3H3.
What are the key properties of 2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine?
2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine is sourced from PubChem (CID 137354599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).