1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

C17H21NOS — CID 115856908

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H21NOS/c1-2-18-16(5-3-13-8-10-20-12-13)14-4-6-17-15(11-14)7-9-19-17/h4,6,8,10-12,16,18H,2-3,5,7,9H2,1H3
InChIKeyXVNQOTCFYYOXKA-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.97
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 115856908) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
PubChem CID115856908
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H21NOS/c1-2-18-16(5-3-13-8-10-20-12-13)14-4-6-17-15(11-14)7-9-19-17/h4,6,8,10-12,16,18H,2-3,5,7,9H2,1H3
InChIKeyXVNQOTCFYYOXKA-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62199949
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 113425129
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65446270
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 104542703
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
CID 65445510
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
CID 61026967
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 115856930

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (CID 115856908) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine is CCNC(CCc1ccsc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is XVNQOTCFYYOXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-18-16(5-3-13-8-10-20-12-13)14-4-6-17-15(11-14)7-9-19-17/h4,6,8,10-12,16,18H,2-3,5,7,9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115856908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).