6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline

C14H20N2O — CID 115076401

IUPAC6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CC(C)(Oc2ccc3c(c2)CCNC3)C1
InChIInChI=1S/C14H20N2O/c1-14(9-16(2)10-14)17-13-4-3-12-8-15-6-5-11(12)7-13/h3-4,7,15H,5-6,8-10H2,1-2H3
InChIKeyODATUNJIRQNFIZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.42
Rot. Bonds2

About 6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline

6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076401) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076401
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CC(C)(Oc2ccc3c(c2)CCNC3)C1
InChIInChI=1S/C14H20N2O/c1-14(9-16(2)10-14)17-13-4-3-12-8-15-6-5-11(12)7-13/h3-4,7,15H,5-6,8-10H2,1-2H3
InChIKeyODATUNJIRQNFIZ-UHFFFAOYSA-N
XLogP1.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076401) is 6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is CN1CC(C)(Oc2ccc3c(c2)CCNC3)C1.
What is the InChIKey of 6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ODATUNJIRQNFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(9-16(2)10-14)17-13-4-3-12-8-15-6-5-11(12)7-13/h3-4,7,15H,5-6,8-10H2,1-2H3.
What are the key properties of 6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 232.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).