2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane

C15H19NO — CID 138988946

IUPAC2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane
SMILESc1cc2c(cc1CN1CC3CCC1C3)CCO2
InChIInChI=1S/C15H19NO/c1-3-14-8-12(1)10-16(14)9-11-2-4-15-13(7-11)5-6-17-15/h2,4,7,12,14H,1,3,5-6,8-10H2
InChIKeyYXFOQKLZASZLLU-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.61
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane

2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 138988946) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane
PubChem CID138988946
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane
SMILESc1cc2c(cc1CN1CC3CCC1C3)CCO2
InChIInChI=1S/C15H19NO/c1-3-14-8-12(1)10-16(14)9-11-2-4-15-13(7-11)5-6-17-15/h2,4,7,12,14H,1,3,5-6,8-10H2
InChIKeyYXFOQKLZASZLLU-UHFFFAOYSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212239
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methylpiperidine-4-carboxylic acid
CID 106745447
(1R,5S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(pyridin-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133125844
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one
CID 15987387
6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678269
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 154580971
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65062998

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane (CID 138988946) is 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane is c1cc2c(cc1CN1CC3CCC1C3)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is YXFOQKLZASZLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-14-8-12(1)10-16(14)9-11-2-4-15-13(7-11)5-6-17-15/h2,4,7,12,14H,1,3,5-6,8-10H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane?
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 229.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 138988946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).