3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine

C17H23NO2 — CID 65444583

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine
SMILESNC(CCc1ccc2c(c1)CCO2)C1CC2CCC1O2
InChIInChI=1S/C17H23NO2/c18-15(14-10-13-3-6-17(14)20-13)4-1-11-2-5-16-12(9-11)7-8-19-16/h2,5,9,13-15,17H,1,3-4,6-8,10,18H2
InChIKeyOHPSGOVWZBESJP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.45
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine (PubChem CID 65444583) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine
PubChem CID65444583
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine
SMILESNC(CCc1ccc2c(c1)CCO2)C1CC2CCC1O2
InChIInChI=1S/C17H23NO2/c18-15(14-10-13-3-6-17(14)20-13)4-1-11-2-5-16-12(9-11)7-8-19-16/h2,5,9,13-15,17H,1,3-4,6-8,10,18H2
InChIKeyOHPSGOVWZBESJP-UHFFFAOYSA-N
XLogP2.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine with MolForge

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine
CID 115864482
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine
CID 65445707
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
[1-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105202382
N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine
CID 104542550
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine
CID 105265014
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
CID 65443042
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
CID 65446280
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-4-methylsulfonylpentan-3-amine
CID 115864525
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine (CID 65444583) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine is NC(CCc1ccc2c(c1)CCO2)C1CC2CCC1O2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine?
The InChIKey is OHPSGOVWZBESJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c18-15(14-10-13-3-6-17(14)20-13)4-1-11-2-5-16-12(9-11)7-8-19-16/h2,5,9,13-15,17H,1,3-4,6-8,10,18H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine is sourced from PubChem (CID 65444583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).