3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol

C15H17NO2S — CID 65246507

IUPAC3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1cc(CNC2COc3cc(O)ccc32)sc1C
InChIInChI=1S/C15H17NO2S/c1-9-5-12(19-10(9)2)7-16-14-8-18-15-6-11(17)3-4-13(14)15/h3-6,14,16-17H,7-8H2,1-2H3
InChIKeyAXZSNZXAJAQDEN-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.29
Rot. Bonds3

About 3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 65246507) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID65246507
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1cc(CNC2COc3cc(O)ccc32)sc1C
InChIInChI=1S/C15H17NO2S/c1-9-5-12(19-10(9)2)7-16-14-8-18-15-6-11(17)3-4-13(14)15/h3-6,14,16-17H,7-8H2,1-2H3
InChIKeyAXZSNZXAJAQDEN-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 65246507) is 3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol is Cc1cc(CNC2COc3cc(O)ccc32)sc1C.
What is the InChIKey of 3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is AXZSNZXAJAQDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-9-5-12(19-10(9)2)7-16-14-8-18-15-6-11(17)3-4-13(14)15/h3-6,14,16-17H,7-8H2,1-2H3.
What are the key properties of 3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 275.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 65246507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).