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2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine

C16H17Cl2NO2 — CID 106692957

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)cc2c1OCC2)c1ccc(Cl)o1
InChIInChI=1S/C16H17Cl2NO2/c1-2-19-13(14-3-4-15(18)21-14)9-11-8-12(17)7-10-5-6-20-16(10)11/h3-4,7-8,13,19H,2,5-6,9H2,1H3
InChIKeyPFKWJHJDZQDTOV-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.41
Rot. Bonds5

About 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine (PubChem CID 106692957) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
PubChem CID106692957
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)cc2c1OCC2)c1ccc(Cl)o1
InChIInChI=1S/C16H17Cl2NO2/c1-2-19-13(14-3-4-15(18)21-14)9-11-8-12(17)7-10-5-6-20-16(10)11/h3-4,7-8,13,19H,2,5-6,9H2,1H3
InChIKeyPFKWJHJDZQDTOV-UHFFFAOYSA-N
XLogP4.41
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine (CID 106692957) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine is CCNC(Cc1cc(Cl)cc2c1OCC2)c1ccc(Cl)o1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine?
The InChIKey is PFKWJHJDZQDTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-2-19-13(14-3-4-15(18)21-14)9-11-8-12(17)7-10-5-6-20-16(10)11/h3-4,7-8,13,19H,2,5-6,9H2,1H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine has a molecular weight of 326.22 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine is sourced from PubChem (CID 106692957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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