6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline

C14H19NO — CID 115076299

IUPAC6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(Oc2ccc3c(c2)CCNC3)CCC1
InChIInChI=1S/C14H19NO/c1-14(6-2-7-14)16-13-4-3-12-10-15-8-5-11(12)9-13/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyLLKQARQWHIJNEI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.65
Rot. Bonds2

About 6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline

6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076299) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076299
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(Oc2ccc3c(c2)CCNC3)CCC1
InChIInChI=1S/C14H19NO/c1-14(6-2-7-14)16-13-4-3-12-10-15-8-5-11(12)9-13/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyLLKQARQWHIJNEI-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076299) is 6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline is CC1(Oc2ccc3c(c2)CCNC3)CCC1.
What is the InChIKey of 6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LLKQARQWHIJNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(6-2-7-14)16-13-4-3-12-10-15-8-5-11(12)9-13/h3-4,9,15H,2,5-8,10H2,1H3.
What are the key properties of 6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline?
6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 217.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).