8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline

C15H21NO2 — CID 115076793

IUPAC8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(OCC3CCOCC3)c1)CNCC2
InChIInChI=1S/C15H21NO2/c1-2-13-4-7-16-10-14(13)15(3-1)18-11-12-5-8-17-9-6-12/h1-3,12,16H,4-11H2
InChIKeyRXIKCRGPRSWATK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.14
Rot. Bonds3

About 8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline

8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076793) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076793
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(OCC3CCOCC3)c1)CNCC2
InChIInChI=1S/C15H21NO2/c1-2-13-4-7-16-10-14(13)15(3-1)18-11-12-5-8-17-9-6-12/h1-3,12,16H,4-11H2
InChIKeyRXIKCRGPRSWATK-UHFFFAOYSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076665
8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076691
8-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076783
8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076740
8-(thian-3-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076813
8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076763
2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 62387152
8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076723
4-(thian-4-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075868
4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075810
5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076184
8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076747

Frequently Asked Questions

What is the IUPAC name of 8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline (CID 115076793) is 8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline is c1cc2c(c(OCC3CCOCC3)c1)CNCC2.
What is the InChIKey of 8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RXIKCRGPRSWATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-13-4-7-16-10-14(13)15(3-1)18-11-12-5-8-17-9-6-12/h1-3,12,16H,4-11H2.
What are the key properties of 8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 247.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).