8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline

C16H23NO — CID 115076749

IUPAC8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(C)CCC(Oc2cccc3c2CNCC3)C1
InChIInChI=1S/C16H23NO/c1-16(2)8-6-13(10-16)18-15-5-3-4-12-7-9-17-11-14(12)15/h3-5,13,17H,6-11H2,1-2H3
InChIKeyWJOTWKXREQOZTE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.29
Rot. Bonds2

About 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline

8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076749) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076749
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(C)CCC(Oc2cccc3c2CNCC3)C1
InChIInChI=1S/C16H23NO/c1-16(2)8-6-13(10-16)18-15-5-3-4-12-7-9-17-11-14(12)15/h3-5,13,17H,6-11H2,1-2H3
InChIKeyWJOTWKXREQOZTE-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole
CID 115075824
8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076747
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075643
8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076691
8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076763
8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076688
8-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076748
8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075697
5-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076188
8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076678
8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076703
4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole
CID 115075917

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076749) is 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline is CC1(C)CCC(Oc2cccc3c2CNCC3)C1.
What is the InChIKey of 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WJOTWKXREQOZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)8-6-13(10-16)18-15-5-3-4-12-7-9-17-11-14(12)15/h3-5,13,17H,6-11H2,1-2H3.
What are the key properties of 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 245.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).