1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine

C17H15NO2S — CID 106601335

IUPAC1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine
SMILESNC(c1cc2ccccc2o1)C1CSc2ccccc2O1
InChIInChI=1S/C17H15NO2S/c18-17(14-9-11-5-1-2-6-12(11)19-14)15-10-21-16-8-4-3-7-13(16)20-15/h1-9,15,17H,10,18H2
InChIKeyYNKKJMWDSNKQIB-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.99
Rot. Bonds2

About 1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine

1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine (PubChem CID 106601335) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine
PubChem CID106601335
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine
SMILESNC(c1cc2ccccc2o1)C1CSc2ccccc2O1
InChIInChI=1S/C17H15NO2S/c18-17(14-9-11-5-1-2-6-12(11)19-14)15-10-21-16-8-4-3-7-13(16)20-15/h1-9,15,17H,10,18H2
InChIKeyYNKKJMWDSNKQIB-UHFFFAOYSA-N
XLogP3.99
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzoxathiin-2-yl-(2,5-dimethylphenyl)methanamine
CID 106601159
2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluoro-5-methylphenyl)methanamine
CID 106601347
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine
CID 106601230
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-4-methylpentan-1-amine
CID 106601340
[1-benzofuran-2-yl(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105263056
1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(4-ethylphenyl)ethanamine
CID 106601263
1-benzothiophen-7-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanol
CID 106600969
[(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
CID 106602173
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 106602253
1-benzofuran-2-yl(2,3-dihydro-1H-inden-1-yl)methanamine
CID 114729328

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine?
The IUPAC name of 1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine (CID 106601335) is 1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine is NC(c1cc2ccccc2o1)C1CSc2ccccc2O1.
What is the InChIKey of 1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine?
The InChIKey is YNKKJMWDSNKQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c18-17(14-9-11-5-1-2-6-12(11)19-14)15-10-21-16-8-4-3-7-13(16)20-15/h1-9,15,17H,10,18H2.
What are the key properties of 1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine?
1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine has a molecular weight of 297.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine is sourced from PubChem (CID 106601335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).