3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine

C14H18BrNO2 — CID 117497211

IUPAC3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine
SMILESCC(CCN)c1c2c(c(Br)c3c1OCC3)OCC2
InChIInChI=1S/C14H18BrNO2/c1-8(2-5-16)11-9-3-6-18-14(9)12(15)10-4-7-17-13(10)11/h8H,2-7,16H2,1H3
InChIKeyWOADARZOCBCSJV-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.77
Rot. Bonds3

About 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine

3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine (PubChem CID 117497211) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine
PubChem CID117497211
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine
SMILESCC(CCN)c1c2c(c(Br)c3c1OCC3)OCC2
InChIInChI=1S/C14H18BrNO2/c1-8(2-5-16)11-9-3-6-18-14(9)12(15)10-4-7-17-13(10)11/h8H,2-7,16H2,1H3
InChIKeyWOADARZOCBCSJV-UHFFFAOYSA-N
XLogP2.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine 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 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine?
The IUPAC name of 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine (CID 117497211) is 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine.
What is the SMILES notation for 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine?
The canonical SMILES for 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine is CC(CCN)c1c2c(c(Br)c3c1OCC3)OCC2.
What is the InChIKey of 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine?
The InChIKey is WOADARZOCBCSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-8(2-5-16)11-9-3-6-18-14(9)12(15)10-4-7-17-13(10)11/h8H,2-7,16H2,1H3.
What are the key properties of 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine?
3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine has a molecular weight of 312.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butan-1-amine is sourced from PubChem (CID 117497211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).