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

C14H19NO2 — CID 115076691

IUPAC8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(OC3CCOCC3)c1)CNCC2
InChIInChI=1S/C14H19NO2/c1-2-11-4-7-15-10-13(11)14(3-1)17-12-5-8-16-9-6-12/h1-3,12,15H,4-10H2
InChIKeyJHUUHCSXDNZFGL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.89
Rot. Bonds2

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

8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076691) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076691
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(OC3CCOCC3)c1)CNCC2
InChIInChI=1S/C14H19NO2/c1-2-11-4-7-15-10-13(11)14(3-1)17-12-5-8-16-9-6-12/h1-3,12,15H,4-10H2
InChIKeyJHUUHCSXDNZFGL-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline (CID 115076691) is 8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline is c1cc2c(c(OC3CCOCC3)c1)CNCC2.
What is the InChIKey of 8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JHUUHCSXDNZFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-11-4-7-15-10-13(11)14(3-1)17-12-5-8-16-9-6-12/h1-3,12,15H,4-10H2.
What are the key properties of 8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline?
8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 233.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).