7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C15H22N2O — CID 115076556

IUPAC7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CC(COc2ccc3c(c2)CNCC3)C1
InChIInChI=1S/C15H22N2O/c1-2-17-9-12(10-17)11-18-15-4-3-13-5-6-16-8-14(13)7-15/h3-4,7,12,16H,2,5-6,8-11H2,1H3
InChIKeyYZCLOTGRNBLCCB-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.66
Rot. Bonds4

About 7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076556) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076556
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CC(COc2ccc3c(c2)CNCC3)C1
InChIInChI=1S/C15H22N2O/c1-2-17-9-12(10-17)11-18-15-4-3-13-5-6-16-8-14(13)7-15/h3-4,7,12,16H,2,5-6,8-11H2,1H3
InChIKeyYZCLOTGRNBLCCB-UHFFFAOYSA-N
XLogP1.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

7-[(1-ethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076602
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076617
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076292
7-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076618
5-[(1-propan-2-ylazetidin-3-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115076003
5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076184
6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076430
5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074635
6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076372

Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076556) is 7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CCN1CC(COc2ccc3c(c2)CNCC3)C1.
What is the InChIKey of 7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YZCLOTGRNBLCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-17-9-12(10-17)11-18-15-4-3-13-5-6-16-8-14(13)7-15/h3-4,7,12,16H,2,5-6,8-11H2,1H3.
What are the key properties of 7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 246.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).