2-(1-benzofuran-5-yl)-1-cyclopropylethanamine

C13H15NO — CID 83831831

IUPAC2-(1-benzofuran-5-yl)-1-cyclopropylethanamine
SMILESNC(Cc1ccc2occc2c1)C1CC1
InChIInChI=1S/C13H15NO/c14-12(10-2-3-10)8-9-1-4-13-11(7-9)5-6-15-13/h1,4-7,10,12H,2-3,8,14H2
InChIKeyCVPNUHKRUWAOBG-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.71
Rot. Bonds3

About 2-(1-benzofuran-5-yl)-1-cyclopropylethanamine

2-(1-benzofuran-5-yl)-1-cyclopropylethanamine (PubChem CID 83831831) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-1-cyclopropylethanamine.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-1-cyclopropylethanamine
PubChem CID83831831
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(1-benzofuran-5-yl)-1-cyclopropylethanamine
SMILESNC(Cc1ccc2occc2c1)C1CC1
InChIInChI=1S/C13H15NO/c14-12(10-2-3-10)8-9-1-4-13-11(7-9)5-6-15-13/h1,4-7,10,12H,2-3,8,14H2
InChIKeyCVPNUHKRUWAOBG-UHFFFAOYSA-N
XLogP2.71
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-1-cyclopropylethanamine?
The IUPAC name of 2-(1-benzofuran-5-yl)-1-cyclopropylethanamine (CID 83831831) is 2-(1-benzofuran-5-yl)-1-cyclopropylethanamine.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-1-cyclopropylethanamine?
The canonical SMILES for 2-(1-benzofuran-5-yl)-1-cyclopropylethanamine is NC(Cc1ccc2occc2c1)C1CC1.
What is the InChIKey of 2-(1-benzofuran-5-yl)-1-cyclopropylethanamine?
The InChIKey is CVPNUHKRUWAOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c14-12(10-2-3-10)8-9-1-4-13-11(7-9)5-6-15-13/h1,4-7,10,12H,2-3,8,14H2.
What are the key properties of 2-(1-benzofuran-5-yl)-1-cyclopropylethanamine?
2-(1-benzofuran-5-yl)-1-cyclopropylethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-1-cyclopropylethanamine is sourced from PubChem (CID 83831831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).