5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline

C15H21NO2 — CID 115076136

IUPAC5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(Oc2cccc3c2CCNC3)CCOCC1
InChIInChI=1S/C15H21NO2/c1-15(6-9-17-10-7-15)18-14-4-2-3-12-11-16-8-5-13(12)14/h2-4,16H,5-11H2,1H3
InChIKeyIWXPUWMBUYVUON-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.28
Rot. Bonds2

About 5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline

5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076136) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076136
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(Oc2cccc3c2CCNC3)CCOCC1
InChIInChI=1S/C15H21NO2/c1-15(6-9-17-10-7-15)18-14-4-2-3-12-11-16-8-5-13(12)14/h2-4,16H,5-11H2,1H3
InChIKeyIWXPUWMBUYVUON-UHFFFAOYSA-N
XLogP2.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-methyloxan-4-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 5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076136) is 5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline is CC1(Oc2cccc3c2CCNC3)CCOCC1.
What is the InChIKey of 5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is IWXPUWMBUYVUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(6-9-17-10-7-15)18-14-4-2-3-12-11-16-8-5-13(12)14/h2-4,16H,5-11H2,1H3.
What are the key properties of 5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 247.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).