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

C14H19NO2 — CID 115076678

IUPAC8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(Oc2cccc3c2CNCC3)CCOC1
InChIInChI=1S/C14H19NO2/c1-14(6-8-16-10-14)17-13-4-2-3-11-5-7-15-9-12(11)13/h2-4,15H,5-10H2,1H3
InChIKeyNQJQWBBYFSWDLS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.89
Rot. Bonds2

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

8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076678) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076678
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(Oc2cccc3c2CNCC3)CCOC1
InChIInChI=1S/C14H19NO2/c1-14(6-8-16-10-14)17-13-4-2-3-11-5-7-15-9-12(11)13/h2-4,15H,5-10H2,1H3
InChIKeyNQJQWBBYFSWDLS-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076136
8-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076748
8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076703
8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076690
5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076117
8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076691
5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076189
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076749
tert-butyl-dimethyl-(1,2,3,4-tetrahydroisoquinolin-8-yloxy)silane
CID 167736770
4-[(4-methyloxan-4-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075865
8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076793
8-[(3-methylthiolan-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076784

Frequently Asked Questions

What is the IUPAC name of 8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076678) is 8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is CC1(Oc2cccc3c2CNCC3)CCOC1.
What is the InChIKey of 8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NQJQWBBYFSWDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(6-8-16-10-14)17-13-4-2-3-11-5-7-15-9-12(11)13/h2-4,15H,5-10H2,1H3.
What are the key properties of 8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 233.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).