2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine

C16H19NO3 — CID 117435826

IUPAC2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine
SMILESCNCCc1c2cc(C)oc2c(OC)c2cc(C)oc12
InChIInChI=1S/C16H19NO3/c1-9-7-12-11(5-6-17-3)14-13(8-10(2)19-14)15(18-4)16(12)20-9/h7-8,17H,5-6H2,1-4H3
InChIKeyPSKNKEHJCUMWHZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.57
Rot. Bonds4

About 2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine

2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine (PubChem CID 117435826) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine
PubChem CID117435826
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine
SMILESCNCCc1c2cc(C)oc2c(OC)c2cc(C)oc12
InChIInChI=1S/C16H19NO3/c1-9-7-12-11(5-6-17-3)14-13(8-10(2)19-14)15(18-4)16(12)20-9/h7-8,17H,5-6H2,1-4H3
InChIKeyPSKNKEHJCUMWHZ-UHFFFAOYSA-N
XLogP3.57
TPSA47.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine 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 2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine?
The IUPAC name of 2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine (CID 117435826) is 2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine is CNCCc1c2cc(C)oc2c(OC)c2cc(C)oc12.
What is the InChIKey of 2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine?
The InChIKey is PSKNKEHJCUMWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-7-12-11(5-6-17-3)14-13(8-10(2)19-14)15(18-4)16(12)20-9/h7-8,17H,5-6H2,1-4H3.
What are the key properties of 2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine?
2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine has a molecular weight of 273.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine is sourced from PubChem (CID 117435826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).