2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine

C16H21NO2S — CID 21157649

IUPAC2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine
SMILESCCOc1ccc(CC(N)c2cccs2)cc1OCC
InChIInChI=1S/C16H21NO2S/c1-3-18-14-8-7-12(11-15(14)19-4-2)10-13(17)16-6-5-9-20-16/h5-9,11,13H,3-4,10,17H2,1-2H3
InChIKeyINHRAYPWPWEREL-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.79
Rot. Bonds7

About 2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine

2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine (PubChem CID 21157649) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine
PubChem CID21157649
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine
SMILESCCOc1ccc(CC(N)c2cccs2)cc1OCC
InChIInChI=1S/C16H21NO2S/c1-3-18-14-8-7-12(11-15(14)19-4-2)10-13(17)16-6-5-9-20-16/h5-9,11,13H,3-4,10,17H2,1-2H3
InChIKeyINHRAYPWPWEREL-UHFFFAOYSA-N
XLogP3.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine
CID 21157641
2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine
CID 21156725
(2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine
CID 43464721
3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 82185525
3-(3-ethoxy-4-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 82185500
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058131
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057204
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748
4-(2-bromobutyl)-1,2-diethoxybenzene
CID 82254956
2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 3061996
diethyl 2-[(3,4-diethoxyphenyl)methyl]propanedioate
CID 71574869
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine (CID 21157649) is 2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine is CCOc1ccc(CC(N)c2cccs2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine?
The InChIKey is INHRAYPWPWEREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-18-14-8-7-12(11-15(14)19-4-2)10-13(17)16-6-5-9-20-16/h5-9,11,13H,3-4,10,17H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine?
2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 21157649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).