6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane

C17H19NO — CID 56667523

IUPAC6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCOCC1C2CNCC21c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-19-10-16-15-9-18-11-17(15,16)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15-16,18H,9-11H2,1H3
InChIKeyVNJFIBFHISUZRV-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.57
Rot. Bonds3

About 6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane

6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 56667523) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID56667523
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCOCC1C2CNCC21c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-19-10-16-15-9-18-11-17(15,16)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15-16,18H,9-11H2,1H3
InChIKeyVNJFIBFHISUZRV-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane 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-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane (CID 56667523) is 6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane is COCC1C2CNCC21c1ccc2ccccc2c1.
What is the InChIKey of 6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is VNJFIBFHISUZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-10-16-15-9-18-11-17(15,16)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15-16,18H,9-11H2,1H3.
What are the key properties of 6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 253.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 56667523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).