1-(1-benzofuran-2-yl)-N-ethylethanamine

C12H15NO — CID 24709506

IUPAC1-(1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C12H15NO/c1-3-13-9(2)12-8-10-6-4-5-7-11(10)14-12/h4-9,13H,3H2,1-2H3
InChIKeyXLCDXJDKWGOIPA-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.10
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-N-ethylethanamine

1-(1-benzofuran-2-yl)-N-ethylethanamine (PubChem CID 24709506) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethylethanamine
PubChem CID24709506
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C12H15NO/c1-3-13-9(2)12-8-10-6-4-5-7-11(10)14-12/h4-9,13H,3H2,1-2H3
InChIKeyXLCDXJDKWGOIPA-UHFFFAOYSA-N
XLogP3.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethylethanamine (CID 24709506) is 1-(1-benzofuran-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethylethanamine is CCNC(C)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethylethanamine?
The InChIKey is XLCDXJDKWGOIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-13-9(2)12-8-10-6-4-5-7-11(10)14-12/h4-9,13H,3H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethylethanamine?
1-(1-benzofuran-2-yl)-N-ethylethanamine has a molecular weight of 189.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-ethylethanamine is sourced from PubChem (CID 24709506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).