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

C17H26N2O — CID 115076690

IUPAC8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCC(C)(Oc2cccc3c2CNCC3)C1
InChIInChI=1S/C17H26N2O/c1-13(2)19-10-8-17(3,12-19)20-16-6-4-5-14-7-9-18-11-15(14)16/h4-6,13,18H,7-12H2,1-3H3
InChIKeyNPTOXRIKXPAIPB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.58
Rot. Bonds3

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

8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076690) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076690
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCC(C)(Oc2cccc3c2CNCC3)C1
InChIInChI=1S/C17H26N2O/c1-13(2)19-10-8-17(3,12-19)20-16-6-4-5-14-7-9-18-11-15(14)16/h4-6,13,18H,7-12H2,1-3H3
InChIKeyNPTOXRIKXPAIPB-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076690) is 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is CC(C)N1CCC(C)(Oc2cccc3c2CNCC3)C1.
What is the InChIKey of 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NPTOXRIKXPAIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)19-10-8-17(3,12-19)20-16-6-4-5-14-7-9-18-11-15(14)16/h4-6,13,18H,7-12H2,1-3H3.
What are the key properties of 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 274.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).