2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine

C13H13NO — CID 175054298

IUPAC2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine
SMILESNCC1=c2ccc3c(c2CC=C1)OCC=3
InChIInChI=1S/C13H13NO/c14-8-10-2-1-3-12-11(10)5-4-9-6-7-15-13(9)12/h1-2,4-6H,3,7-8,14H2
InChIKeyOXWHUFLDBYMBOF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.08
Rot. Bonds1

About 2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine

2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine (PubChem CID 175054298) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine.

Molecular Properties

Compound Name2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine
PubChem CID175054298
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine
SMILESNCC1=c2ccc3c(c2CC=C1)OCC=3
InChIInChI=1S/C13H13NO/c14-8-10-2-1-3-12-11(10)5-4-9-6-7-15-13(9)12/h1-2,4-6H,3,7-8,14H2
InChIKeyOXWHUFLDBYMBOF-UHFFFAOYSA-N
XLogP0.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine?
The IUPAC name of 2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine (CID 175054298) is 2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine.
What is the SMILES notation for 2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine?
The canonical SMILES for 2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine is NCC1=c2ccc3c(c2CC=C1)OCC=3.
What is the InChIKey of 2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine?
The InChIKey is OXWHUFLDBYMBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c14-8-10-2-1-3-12-11(10)5-4-9-6-7-15-13(9)12/h1-2,4-6H,3,7-8,14H2.
What are the key properties of 2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine?
2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine has a molecular weight of 199.25 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dihydrobenzo[g][1]benzofuran-6-ylmethanamine is sourced from PubChem (CID 175054298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).