N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine

C17H19NOS2 — CID 80738448

IUPACN-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1cc2sccc2s1
InChIInChI=1S/C17H19NOS2/c1-3-18-14(10-12-5-4-6-13(9-12)19-2)16-11-17-15(21-16)7-8-20-17/h4-9,11,14,18H,3,10H2,1-2H3
InChIKeyGVMLEPLJMCMWGK-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.86
Rot. Bonds6

About N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine

N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 80738448) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID80738448
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC NameN-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1cc2sccc2s1
InChIInChI=1S/C17H19NOS2/c1-3-18-14(10-12-5-4-6-13(9-12)19-2)16-11-17-15(21-16)7-8-20-17/h4-9,11,14,18H,3,10H2,1-2H3
InChIKeyGVMLEPLJMCMWGK-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115785668
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115818726
N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 61065390
N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802298
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 105133699
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122653
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107503839
[1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295339
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
N-ethyl-2-(3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 62600523
N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745597
N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105022309

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 80738448) is N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine is CCNC(Cc1cccc(OC)c1)c1cc2sccc2s1.
What is the InChIKey of N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is GVMLEPLJMCMWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS2/c1-3-18-14(10-12-5-4-6-13(9-12)19-2)16-11-17-15(21-16)7-8-20-17/h4-9,11,14,18H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 317.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 80738448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).