6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine

C13H13NO2S — CID 63096549

IUPAC6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(OCc3cccs3)ccc21
InChIInChI=1S/C13H13NO2S/c14-12-8-16-13-6-9(3-4-11(12)13)15-7-10-2-1-5-17-10/h1-6,12H,7-8,14H2
InChIKeyDIFYXLRMVGXFJT-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.72
Rot. Bonds3

About 6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine

6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63096549) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63096549
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(OCc3cccs3)ccc21
InChIInChI=1S/C13H13NO2S/c14-12-8-16-13-6-9(3-4-11(12)13)15-7-10-2-1-5-17-10/h1-6,12H,7-8,14H2
InChIKeyDIFYXLRMVGXFJT-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-bromothiophen-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095837
6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097070
2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol
CID 130038415
6-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63097431
6-(3-methylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63190974
3-(thiophen-2-ylmethoxy)phenol
CID 43143563
6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 107041423
6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096723
6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095491
6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096895
6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097077
6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096189

Frequently Asked Questions

What is the IUPAC name of 6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 63096549) is 6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine is NC1COc2cc(OCc3cccs3)ccc21.
What is the InChIKey of 6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is DIFYXLRMVGXFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c14-12-8-16-13-6-9(3-4-11(12)13)15-7-10-2-1-5-17-10/h1-6,12H,7-8,14H2.
What are the key properties of 6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine?
6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 247.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63096549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).