3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane

C15H20N2O — CID 103998358

IUPAC3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESc1cc2c(cc1CN1CC3CCC(C1)O3)CNC2
InChIInChI=1S/C15H20N2O/c1-2-12-6-16-7-13(12)5-11(1)8-17-9-14-3-4-15(10-17)18-14/h1-2,5,14-16H,3-4,6-10H2
InChIKeyUXTNBPGTKRJKFJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.65
Rot. Bonds2

About 3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 103998358) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID103998358
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESc1cc2c(cc1CN1CC3CCC(C1)O3)CNC2
InChIInChI=1S/C15H20N2O/c1-2-12-6-16-7-13(12)5-11(1)8-17-9-14-3-4-15(10-17)18-14/h1-2,5,14-16H,3-4,6-10H2
InChIKeyUXTNBPGTKRJKFJ-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103534857
2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 103998278
2-bromo-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)aniline
CID 115557236
5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103997998
[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 107878528
5-[(4-tert-butylazepan-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103998331
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzonitrile
CID 66392884
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983417
8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane
CID 103998282
6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 91200429
2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 103998261
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzonitrile
CID 66392107

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 103998358) is 3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane is c1cc2c(cc1CN1CC3CCC(C1)O3)CNC2.
What is the InChIKey of 3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is UXTNBPGTKRJKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-12-6-16-7-13(12)5-11(1)8-17-9-14-3-4-15(10-17)18-14/h1-2,5,14-16H,3-4,6-10H2.
What are the key properties of 3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 244.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 103998358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).