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

C15H13ClFNS2 — CID 103053200

IUPAC2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1cc2sccc2s1
InChIInChI=1S/C15H13ClFNS2/c1-18-12(7-9-6-10(16)2-3-11(9)17)14-8-15-13(20-14)4-5-19-15/h2-6,8,12,18H,7H2,1H3
InChIKeyRORZJMVKWLDUBD-UHFFFAOYSA-N
MW325.86 g/mol
LogP5.26
Rot. Bonds4

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

2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 103053200) has the molecular formula C15H13ClFNS2 and a molecular weight of 325.86 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID103053200
Molecular FormulaC15H13ClFNS2
Molecular Weight325.86 g/mol
Exact Mass325.02
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1cc2sccc2s1
InChIInChI=1S/C15H13ClFNS2/c1-18-12(7-9-6-10(16)2-3-11(9)17)14-8-15-13(20-14)4-5-19-15/h2-6,8,12,18H,7H2,1H3
InChIKeyRORZJMVKWLDUBD-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.86
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115809913
2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80744894
2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115818614
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115840517
2-(furan-3-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105029930
1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810512
N-methyl-2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105034571
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641
N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
CID 115835455
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 103048581
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 103053200) is 2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine is CNC(Cc1cc(Cl)ccc1F)c1cc2sccc2s1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is RORZJMVKWLDUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNS2/c1-18-12(7-9-6-10(16)2-3-11(9)17)14-8-15-13(20-14)4-5-19-15/h2-6,8,12,18H,7H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 325.86 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 103053200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).