8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline

C14H19NO — CID 115076665

IUPAC8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(OCC3CCC3)c1)CNCC2
InChIInChI=1S/C14H19NO/c1-3-11(4-1)10-16-14-6-2-5-12-7-8-15-9-13(12)14/h2,5-6,11,15H,1,3-4,7-10H2
InChIKeyWGXZZAGWBYPLRQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.51
Rot. Bonds3

About 8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline

8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076665) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076665
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(OCC3CCC3)c1)CNCC2
InChIInChI=1S/C14H19NO/c1-3-11(4-1)10-16-14-6-2-5-12-7-8-15-9-13(12)14/h2,5-6,11,15H,1,3-4,7-10H2
InChIKeyWGXZZAGWBYPLRQ-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline (CID 115076665) is 8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline is c1cc2c(c(OCC3CCC3)c1)CNCC2.
What is the InChIKey of 8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WGXZZAGWBYPLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-11(4-1)10-16-14-6-2-5-12-7-8-15-9-13(12)14/h2,5-6,11,15H,1,3-4,7-10H2.
What are the key properties of 8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 217.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).