1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine

C15H18ClNOS — CID 105185669

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine
SMILESNC(CC1CCSCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H18ClNOS/c16-12-1-2-14-11(8-12)9-15(18-14)13(17)7-10-3-5-19-6-4-10/h1-2,8-10,13H,3-7,17H2
InChIKeyNQXNKIJIHQWASZ-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.62
Rot. Bonds3

About 1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine

1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine (PubChem CID 105185669) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine
PubChem CID105185669
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine
SMILESNC(CC1CCSCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H18ClNOS/c16-12-1-2-14-11(8-12)9-15(18-14)13(17)7-10-3-5-19-6-4-10/h1-2,8-10,13H,3-7,17H2
InChIKeyNQXNKIJIHQWASZ-UHFFFAOYSA-N
XLogP4.62
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105185674
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
CID 114729243
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585
1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
CID 105045741
1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 114728319
1-(2,5-dichlorophenyl)-3-(thian-4-yl)propan-2-amine
CID 105151400
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970
[(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine
CID 105255679
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol
CID 114727353
1-(3,5-dimethylphenyl)-2-(thian-4-yl)ethanamine
CID 105096944
1-(2,4-difluorophenyl)-2-(thian-4-yl)ethanamine
CID 105143676

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine (CID 105185669) is 1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine is NC(CC1CCSCC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine?
The InChIKey is NQXNKIJIHQWASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c16-12-1-2-14-11(8-12)9-15(18-14)13(17)7-10-3-5-19-6-4-10/h1-2,8-10,13H,3-7,17H2.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine?
1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine has a molecular weight of 295.83 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105185669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).