4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline

C14H20N2O — CID 105491599

IUPAC4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C(CN1CCC1)CNC2
InChIInChI=1S/C14H20N2O/c1-17-13-4-3-11-8-15-9-12(14(11)7-13)10-16-5-2-6-16/h3-4,7,12,15H,2,5-6,8-10H2,1H3
InChIKeyQNWMWUCAEHISCC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.59
Rot. Bonds3

About 4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline

4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 105491599) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID105491599
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C(CN1CCC1)CNC2
InChIInChI=1S/C14H20N2O/c1-17-13-4-3-11-8-15-9-12(14(11)7-13)10-16-5-2-6-16/h3-4,7,12,15H,2,5-6,8-10H2,1H3
InChIKeyQNWMWUCAEHISCC-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(azetidin-1-ylmethyl)-6-methoxy-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 4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 105491599) is 4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)C(CN1CCC1)CNC2.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QNWMWUCAEHISCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-13-4-3-11-8-15-9-12(14(11)7-13)10-16-5-2-6-16/h3-4,7,12,15H,2,5-6,8-10H2,1H3.
What are the key properties of 4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 232.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 105491599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).