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

C15H22N2O — CID 115076339

IUPAC6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCCC1COc1ccc2c(c1)CCNC2
InChIInChI=1S/C15H22N2O/c1-17-8-2-3-14(17)11-18-15-5-4-13-10-16-7-6-12(13)9-15/h4-5,9,14,16H,2-3,6-8,10-11H2,1H3
InChIKeyQYPOIRVGOOYIKT-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.81
Rot. Bonds3

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

6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076339) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076339
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCCC1COc1ccc2c(c1)CCNC2
InChIInChI=1S/C15H22N2O/c1-17-8-2-3-14(17)11-18-15-5-4-13-10-16-7-6-12(13)9-15/h4-5,9,14,16H,2-3,6-8,10-11H2,1H3
InChIKeyQYPOIRVGOOYIKT-UHFFFAOYSA-N
XLogP1.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076292
6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076430
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine
CID 143189445
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616
7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076617
6-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 162337640
7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline
CID 68695903
7-[(1-ethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076602
7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076511

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076339) is 6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CN1CCCC1COc1ccc2c(c1)CCNC2.
What is the InChIKey of 6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QYPOIRVGOOYIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-8-2-3-14(17)11-18-15-5-4-13-10-16-7-6-12(13)9-15/h4-5,9,14,16H,2-3,6-8,10-11H2,1H3.
What are the key properties of 6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 246.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).