5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C15H22N2O — CID 115076184

IUPAC5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CC(COc2cccc3c2CCNC3)C1
InChIInChI=1S/C15H22N2O/c1-2-17-9-12(10-17)11-18-15-5-3-4-13-8-16-7-6-14(13)15/h3-5,12,16H,2,6-11H2,1H3
InChIKeyUJWRYVPGOPSFER-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.66
Rot. Bonds4

About 5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076184) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076184
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CC(COc2cccc3c2CCNC3)C1
InChIInChI=1S/C15H22N2O/c1-2-17-9-12(10-17)11-18-15-5-3-4-13-8-16-7-6-14(13)15/h3-5,12,16H,2,6-11H2,1H3
InChIKeyUJWRYVPGOPSFER-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

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Related Compounds

8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076740
7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076556
4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075810
5-(thiolan-2-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076151
8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076665
2-(1,2,3,4-tetrahydroisoquinolin-5-yloxymethyl)thiane 1,1-dioxide
CID 115076162
8-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075693
5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076115
8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076793
5-(1-methylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076283
4-(thian-4-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075868
7-[(1-ethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076602

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076184) is 5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CCN1CC(COc2cccc3c2CCNC3)C1.
What is the InChIKey of 5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UJWRYVPGOPSFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-17-9-12(10-17)11-18-15-5-3-4-13-8-16-7-6-14(13)15/h3-5,12,16H,2,6-11H2,1H3.
What are the key properties of 5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
5-[(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 5-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).