8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline

C16H24N2O — CID 115076688

IUPAC8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCC(Oc2cccc3c2CNCC3)C1
InChIInChI=1S/C16H24N2O/c1-12(2)18-9-7-14(11-18)19-16-5-3-4-13-6-8-17-10-15(13)16/h3-5,12,14,17H,6-11H2,1-2H3
InChIKeyHMFHIGKIGHVOFG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds3

About 8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline

8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076688) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076688
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCC(Oc2cccc3c2CNCC3)C1
InChIInChI=1S/C16H24N2O/c1-12(2)18-9-7-14(11-18)19-16-5-3-4-13-6-8-17-10-15(13)16/h3-5,12,14,17H,6-11H2,1-2H3
InChIKeyHMFHIGKIGHVOFG-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076287
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076749
8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076747
8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076691
8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076690
5-(1-methylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076283
8-(1-propan-2-ylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075598
4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115074410
4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole
CID 115075824
8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076740
5-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076188
8-[(2-methyl-1-propan-2-ylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076718

Frequently Asked Questions

What is the IUPAC name of 8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076688) is 8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is CC(C)N1CCC(Oc2cccc3c2CNCC3)C1.
What is the InChIKey of 8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HMFHIGKIGHVOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)18-9-7-14(11-18)19-16-5-3-4-13-6-8-17-10-15(13)16/h3-5,12,14,17H,6-11H2,1-2H3.
What are the key properties of 8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 260.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).