5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline

C16H23NO — CID 115076189

IUPAC5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCC(C)(Oc2cccc3c2CCNC3)C1
InChIInChI=1S/C16H23NO/c1-12-6-8-16(2,10-12)18-15-5-3-4-13-11-17-9-7-14(13)15/h3-5,12,17H,6-11H2,1-2H3
InChIKeyBXYQRJHXSVJTND-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.29
Rot. Bonds2

About 5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline

5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076189) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076189
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCC(C)(Oc2cccc3c2CCNC3)C1
InChIInChI=1S/C16H23NO/c1-12-6-8-16(2,10-12)18-15-5-3-4-13-11-17-9-7-14(13)15/h3-5,12,17H,6-11H2,1-2H3
InChIKeyBXYQRJHXSVJTND-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

8-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076748
5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076117
5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076136
5-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076188
7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole
CID 115074930
5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076115
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
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076749
8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076690
8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076747
4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole
CID 115075824

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076189) is 5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline is CC1CCC(C)(Oc2cccc3c2CCNC3)C1.
What is the InChIKey of 5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BXYQRJHXSVJTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-6-8-16(2,10-12)18-15-5-3-4-13-11-17-9-7-14(13)15/h3-5,12,17H,6-11H2,1-2H3.
What are the key properties of 5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
5-(1,3-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 5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).