6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline

C16H24N2O — CID 115076405

IUPAC6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CC(C)(Oc2ccc3c(c2)CCNC3)C1
InChIInChI=1S/C16H24N2O/c1-12(2)18-10-16(3,11-18)19-15-5-4-14-9-17-7-6-13(14)8-15/h4-5,8,12,17H,6-7,9-11H2,1-3H3
InChIKeyOFERZVWLCQHDCS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds3

About 6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline

6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076405) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076405
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CC(C)(Oc2ccc3c(c2)CCNC3)C1
InChIInChI=1S/C16H24N2O/c1-12(2)18-10-16(3,11-18)19-15-5-4-14-9-17-7-6-13(14)8-15/h4-5,8,12,17H,6-7,9-11H2,1-3H3
InChIKeyOFERZVWLCQHDCS-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076405) is 6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is CC(C)N1CC(C)(Oc2ccc3c(c2)CCNC3)C1.
What is the InChIKey of 6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OFERZVWLCQHDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)18-10-16(3,11-18)19-15-5-4-14-9-17-7-6-13(14)8-15/h4-5,8,12,17H,6-7,9-11H2,1-3H3.
What are the key properties of 6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 260.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).