2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine

C15H13BrFNS2 — CID 115818614

IUPAC2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCNC(Cc1ccc(F)c(Br)c1)c1cc2sccc2s1
InChIInChI=1S/C15H13BrFNS2/c1-18-12(7-9-2-3-11(17)10(16)6-9)14-8-15-13(20-14)4-5-19-15/h2-6,8,12,18H,7H2,1H3
InChIKeyKVNCIXZWMWEFBR-UHFFFAOYSA-N
MW370.31 g/mol
LogP5.37
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine

2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 115818614) has the molecular formula C15H13BrFNS2 and a molecular weight of 370.31 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID115818614
Molecular FormulaC15H13BrFNS2
Molecular Weight370.31 g/mol
Exact Mass368.97
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCNC(Cc1ccc(F)c(Br)c1)c1cc2sccc2s1
InChIInChI=1S/C15H13BrFNS2/c1-18-12(7-9-2-3-11(17)10(16)6-9)14-8-15-13(20-14)4-5-19-15/h2-6,8,12,18H,7H2,1H3
InChIKeyKVNCIXZWMWEFBR-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.31
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115818726
2-(3-bromo-4-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 115818809
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
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-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80744894
2-(furan-3-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105029930
1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 102827313
N-methyl-2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105034571
2-(3-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 107968016
2-(3-bromo-4-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115818417
(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80744859

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 115818614) is 2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine is CNC(Cc1ccc(F)c(Br)c1)c1cc2sccc2s1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is KVNCIXZWMWEFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNS2/c1-18-12(7-9-2-3-11(17)10(16)6-9)14-8-15-13(20-14)4-5-19-15/h2-6,8,12,18H,7H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 370.31 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 115818614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).