[5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine

C17H24N2O3 — CID 117489756

IUPAC[5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1c2c(c(C3CC(CN)CN3C)c3c1OCC3)OCC2
InChIInChI=1S/C17H24N2O3/c1-19-9-10(8-18)7-13(19)14-11-3-5-22-17(11)16(20-2)12-4-6-21-15(12)14/h10,13H,3-9,18H2,1-2H3
InChIKeyGAHRJLOVNBJZAV-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.52
Rot. Bonds3

About [5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117489756) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117489756
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1c2c(c(C3CC(CN)CN3C)c3c1OCC3)OCC2
InChIInChI=1S/C17H24N2O3/c1-19-9-10(8-18)7-13(19)14-11-3-5-22-17(11)16(20-2)12-4-6-21-15(12)14/h10,13H,3-9,18H2,1-2H3
InChIKeyGAHRJLOVNBJZAV-UHFFFAOYSA-N
XLogP1.52
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine 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 [5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117489756) is [5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine is COc1c2c(c(C3CC(CN)CN3C)c3c1OCC3)OCC2.
What is the InChIKey of [5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is GAHRJLOVNBJZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19-9-10(8-18)7-13(19)14-11-3-5-22-17(11)16(20-2)12-4-6-21-15(12)14/h10,13H,3-9,18H2,1-2H3.
What are the key properties of [5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 304.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117489756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).