2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine

C14H21NO2 — CID 57218035

IUPAC2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1coc2c1=CCCC=2
InChIInChI=1S/C14H21NO2/c1-3-15(4-2)9-10-16-14-11-17-13-8-6-5-7-12(13)14/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyBPEUIJSVCRPXPB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.36
Rot. Bonds6

About 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine

2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine (PubChem CID 57218035) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine
PubChem CID57218035
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1coc2c1=CCCC=2
InChIInChI=1S/C14H21NO2/c1-3-15(4-2)9-10-16-14-11-17-13-8-6-5-7-12(13)14/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyBPEUIJSVCRPXPB-UHFFFAOYSA-N
XLogP1.36
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine?
The IUPAC name of 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine (CID 57218035) is 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine?
The canonical SMILES for 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine is CCN(CC)CCOc1coc2c1=CCCC=2.
What is the InChIKey of 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine?
The InChIKey is BPEUIJSVCRPXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-15(4-2)9-10-16-14-11-17-13-8-6-5-7-12(13)14/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine?
2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine is sourced from PubChem (CID 57218035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).