2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine

C17H19NOS — CID 115823714

IUPAC2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCc1oc(C)c(C(N)Cc2csc3ccccc23)c1C
InChIInChI=1S/C17H19NOS/c1-10-11(2)19-12(3)17(10)15(18)8-13-9-20-16-7-5-4-6-14(13)16/h4-7,9,15H,8,18H2,1-3H3
InChIKeyDJGFYKBPQSXDIL-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.66
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine

2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 115823714) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID115823714
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCc1oc(C)c(C(N)Cc2csc3ccccc23)c1C
InChIInChI=1S/C17H19NOS/c1-10-11(2)19-12(3)17(10)15(18)8-13-9-20-16-7-5-4-6-14(13)16/h4-7,9,15H,8,18H2,1-3H3
InChIKeyDJGFYKBPQSXDIL-UHFFFAOYSA-N
XLogP4.66
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105291679
2-(1-benzothiophen-3-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789815
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
1-(1-benzofuran-2-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 63738304
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153486
3-[1-benzothiophen-3-yl(chloro)methyl]-2,4,5-trimethylfuran
CID 65152089
2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 63738834
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177
1-(1-benzothiophen-3-yl)heptan-2-amine
CID 115823990
1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine
CID 63737079
2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 105116784
3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 63738810

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 115823714) is 2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is Cc1oc(C)c(C(N)Cc2csc3ccccc23)c1C.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is DJGFYKBPQSXDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-10-11(2)19-12(3)17(10)15(18)8-13-9-20-16-7-5-4-6-14(13)16/h4-7,9,15H,8,18H2,1-3H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 115823714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).