6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C16H24N2O — CID 115076372

IUPAC6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CC(C)(COc2ccc3c(c2)CCNC3)C1
InChIInChI=1S/C16H24N2O/c1-3-18-10-16(2,11-18)12-19-15-5-4-14-9-17-7-6-13(14)8-15/h4-5,8,17H,3,6-7,9-12H2,1-2H3
InChIKeyHOLHSXTVHRMQOV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.05
Rot. Bonds4

About 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076372) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076372
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CC(C)(COc2ccc3c(c2)CCNC3)C1
InChIInChI=1S/C16H24N2O/c1-3-18-10-16(2,11-18)12-19-15-5-4-14-9-17-7-6-13(14)8-15/h4-5,8,17H,3,6-7,9-12H2,1-2H3
InChIKeyHOLHSXTVHRMQOV-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076431
7-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076618
6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075288
6-[(1-ethyl-3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074784
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076573
7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076530
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076635
7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076556
5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075931
6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076401
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616
6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 136576392

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076372) is 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CCN1CC(C)(COc2ccc3c(c2)CCNC3)C1.
What is the InChIKey of 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HOLHSXTVHRMQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18-10-16(2,11-18)12-19-15-5-4-14-9-17-7-6-13(14)8-15/h4-5,8,17H,3,6-7,9-12H2,1-2H3.
What are the key properties of 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 260.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).