N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C15H17NO2 — CID 80714828

IUPACN-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESc1ccc2c(CNC3CC4CCC3O4)coc2c1
InChIInChI=1S/C15H17NO2/c1-2-4-14-12(3-1)10(9-17-14)8-16-13-7-11-5-6-15(13)18-11/h1-4,9,11,13,15-16H,5-8H2
InChIKeyWNWUCGJIJYSKOJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.84
Rot. Bonds3

About N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80714828) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80714828
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESc1ccc2c(CNC3CC4CCC3O4)coc2c1
InChIInChI=1S/C15H17NO2/c1-2-4-14-12(3-1)10(9-17-14)8-16-13-7-11-5-6-15(13)18-11/h1-4,9,11,13,15-16H,5-8H2
InChIKeyWNWUCGJIJYSKOJ-UHFFFAOYSA-N
XLogP2.84
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80714828) is N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine is c1ccc2c(CNC3CC4CCC3O4)coc2c1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is WNWUCGJIJYSKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-4-14-12(3-1)10(9-17-14)8-16-13-7-11-5-6-15(13)18-11/h1-4,9,11,13,15-16H,5-8H2.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80714828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).