2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine

C15H13NOS2 — CID 80733287

IUPAC2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1cc2sccc2s1
InChIInChI=1S/C15H13NOS2/c16-15(14-8-13-12(19-14)4-6-18-13)10-1-2-11-9(7-10)3-5-17-11/h1-2,4,6-8,15H,3,5,16H2
InChIKeyQJLDKXWXWHXSJA-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.95
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine

2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine (PubChem CID 80733287) has the molecular formula C15H13NOS2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine
PubChem CID80733287
Molecular FormulaC15H13NOS2
Molecular Weight287.41 g/mol
Exact Mass287.04
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1cc2sccc2s1
InChIInChI=1S/C15H13NOS2/c16-15(14-8-13-12(19-14)4-6-18-13)10-1-2-11-9(7-10)3-5-17-11/h1-2,4,6-8,15H,3,5,16H2
InChIKeyQJLDKXWXWHXSJA-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanol
CID 80746102
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
CID 171202497
6-[bromo(thieno[3,2-b]thiophen-5-yl)methyl]-3,4-dihydro-2H-chromene
CID 80739025
2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237495
(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 113425095
(5-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43464388
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine
CID 107291822
7-[bromo(thieno[3,2-b]thiophen-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 80739008

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine (CID 80733287) is 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine is NC(c1ccc2c(c1)CCO2)c1cc2sccc2s1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine?
The InChIKey is QJLDKXWXWHXSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS2/c16-15(14-8-13-12(19-14)4-6-18-13)10-1-2-11-9(7-10)3-5-17-11/h1-2,4,6-8,15H,3,5,16H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine?
2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine has a molecular weight of 287.41 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine is sourced from PubChem (CID 80733287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).