2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine

C15H13F2NS2 — CID 80744894

IUPAC2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1cc2sccc2s1
InChIInChI=1S/C15H13F2NS2/c1-18-11(7-9-3-2-4-10(16)15(9)17)13-8-14-12(20-13)5-6-19-14/h2-6,8,11,18H,7H2,1H3
InChIKeyMYFRHQQNJXNRHE-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.74
Rot. Bonds4

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

2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 80744894) has the molecular formula C15H13F2NS2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID80744894
Molecular FormulaC15H13F2NS2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1cc2sccc2s1
InChIInChI=1S/C15H13F2NS2/c1-18-11(7-9-3-2-4-10(16)15(9)17)13-8-14-12(20-13)5-6-19-14/h2-6,8,11,18H,7H2,1H3
InChIKeyMYFRHQQNJXNRHE-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 103053200
2-(2,5-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115809913
2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115818614
2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81121768
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
2-(furan-3-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105029930
N-methyl-2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105034571
2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 62601484
N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
CID 115835455
N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 115849469
3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 104994963
2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62606417

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 80744894) is 2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine is CNC(Cc1cccc(F)c1F)c1cc2sccc2s1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is MYFRHQQNJXNRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NS2/c1-18-11(7-9-3-2-4-10(16)15(9)17)13-8-14-12(20-13)5-6-19-14/h2-6,8,11,18H,7H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 309.41 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 80744894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).