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

C17H26N2O — CID 115076530

IUPAC7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CCCC1(C)COc1ccc2c(c1)CNCC2
InChIInChI=1S/C17H26N2O/c1-3-19-10-4-8-17(19,2)13-20-16-6-5-14-7-9-18-12-15(14)11-16/h5-6,11,18H,3-4,7-10,12-13H2,1-2H3
InChIKeyUFQXVRKGQONDAZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds4

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

7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076530) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076530
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCCN1CCCC1(C)COc1ccc2c(c1)CNCC2
InChIInChI=1S/C17H26N2O/c1-3-19-10-4-8-17(19,2)13-20-16-6-5-14-7-9-18-12-15(14)11-16/h5-6,11,18H,3-4,7-10,12-13H2,1-2H3
InChIKeyUFQXVRKGQONDAZ-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076618
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076635
6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076431
6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076372
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076573
5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074531
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616
7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076487
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076485
7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076556
5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075931

Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076530) is 7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CCN1CCCC1(C)COc1ccc2c(c1)CNCC2.
What is the InChIKey of 7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UFQXVRKGQONDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-19-10-4-8-17(19,2)13-20-16-6-5-14-7-9-18-12-15(14)11-16/h5-6,11,18H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 274.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).