8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C14H20N2O — CID 115076740

IUPAC8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CC(COc2cccc3c2CNCC3)C1
InChIInChI=1S/C14H20N2O/c1-16-8-11(9-16)10-17-14-4-2-3-12-5-6-15-7-13(12)14/h2-4,11,15H,5-10H2,1H3
InChIKeyTXUOTHCLPUVLCB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.27
Rot. Bonds3

About 8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076740) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076740
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CC(COc2cccc3c2CNCC3)C1
InChIInChI=1S/C14H20N2O/c1-16-8-11(9-16)10-17-14-4-2-3-12-5-6-15-7-13(12)14/h2-4,11,15H,5-10H2,1H3
InChIKeyTXUOTHCLPUVLCB-UHFFFAOYSA-N
XLogP1.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.27
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-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076793
8-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076783
5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076184
8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076763
8-(thian-3-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076813
4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075810
8-(thian-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076723
5-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075173
4-(thian-4-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075868
8-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075706
8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076718

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076740) is 8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CN1CC(COc2cccc3c2CNCC3)C1.
What is the InChIKey of 8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is TXUOTHCLPUVLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-8-11(9-16)10-17-14-4-2-3-12-5-6-15-7-13(12)14/h2-4,11,15H,5-10H2,1H3.
What are the key properties of 8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 232.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).