1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine

C15H13F2NS2 — CID 80746048

IUPAC1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCNC(c1cc2sccc2s1)c1cc(F)c(C)cc1F
InChIInChI=1S/C15H13F2NS2/c1-8-5-11(17)9(6-10(8)16)15(18-2)14-7-13-12(20-14)3-4-19-13/h3-7,15,18H,1-2H3
InChIKeyQFUYSYJZPHTKIF-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.86
Rot. Bonds3

About 1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine

1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 80746048) has the molecular formula C15H13F2NS2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID80746048
Molecular FormulaC15H13F2NS2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCNC(c1cc2sccc2s1)c1cc(F)c(C)cc1F
InChIInChI=1S/C15H13F2NS2/c1-8-5-11(17)9(6-10(8)16)15(18-2)14-7-13-12(20-14)3-4-19-13/h3-7,15,18H,1-2H3
InChIKeyQFUYSYJZPHTKIF-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105398856
1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80734021
N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine
CID 80733378
1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 80536245
N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115852659
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 81044859
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745440
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105046125
N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80733605
[(2-methylthiophen-3-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 102843257
2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80744894
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine (CID 80746048) is 1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine is CNC(c1cc2sccc2s1)c1cc(F)c(C)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is QFUYSYJZPHTKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NS2/c1-8-5-11(17)9(6-10(8)16)15(18-2)14-7-13-12(20-14)3-4-19-13/h3-7,15,18H,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 309.41 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 80746048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).