8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C18H28N2O — CID 115076718

IUPAC8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCCC1(C)COc1cccc2c1CNCC2
InChIInChI=1S/C18H28N2O/c1-14(2)20-11-5-9-18(20,3)13-21-17-7-4-6-15-8-10-19-12-16(15)17/h4,6-7,14,19H,5,8-13H2,1-3H3
InChIKeyDYIIQBXOIJMVTR-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.97
Rot. Bonds4

About 8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076718) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076718
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCCC1(C)COc1cccc2c1CNCC2
InChIInChI=1S/C18H28N2O/c1-14(2)20-11-5-9-18(20,3)13-21-17-7-4-6-15-8-10-19-12-16(15)17/h4,6-7,14,19H,5,8-13H2,1-3H3
InChIKeyDYIIQBXOIJMVTR-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076173
8-[(3-methylthiolan-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076784
3-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yloxymethyl)thiane 1,1-dioxide
CID 115076812
8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076690
7-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074892
5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076115
8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076740
8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076703
8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076763
8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076665
4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075876
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075833

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076718) is 8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CC(C)N1CCCC1(C)COc1cccc2c1CNCC2.
What is the InChIKey of 8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DYIIQBXOIJMVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)20-11-5-9-18(20,3)13-21-17-7-4-6-15-8-10-19-12-16(15)17/h4,6-7,14,19H,5,8-13H2,1-3H3.
What are the key properties of 8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 288.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).