2,3-dihydrobenzo[f][1]benzofuran-3-amine

C12H11NO — CID 55272031

IUPAC2,3-dihydrobenzo[f][1]benzofuran-3-amine
SMILESNC1COc2cc3ccccc3cc21
InChIInChI=1S/C12H11NO/c13-11-7-14-12-6-9-4-2-1-3-8(9)5-10(11)12/h1-6,11H,7,13H2
InChIKeyKITCDERHQOXDGS-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.23
Rot. Bonds

About 2,3-dihydrobenzo[f][1]benzofuran-3-amine

2,3-dihydrobenzo[f][1]benzofuran-3-amine (PubChem CID 55272031) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2,3-dihydrobenzo[f][1]benzofuran-3-amine.

Molecular Properties

Compound Name2,3-dihydrobenzo[f][1]benzofuran-3-amine
PubChem CID55272031
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2,3-dihydrobenzo[f][1]benzofuran-3-amine
SMILESNC1COc2cc3ccccc3cc21
InChIInChI=1S/C12H11NO/c13-11-7-14-12-6-9-4-2-1-3-8(9)5-10(11)12/h1-6,11H,7,13H2
InChIKeyKITCDERHQOXDGS-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydrobenzo[f][1]benzofuran-3-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 2,3-dihydrobenzo[f][1]benzofuran-3-amine?
The IUPAC name of 2,3-dihydrobenzo[f][1]benzofuran-3-amine (CID 55272031) is 2,3-dihydrobenzo[f][1]benzofuran-3-amine.
What is the SMILES notation for 2,3-dihydrobenzo[f][1]benzofuran-3-amine?
The canonical SMILES for 2,3-dihydrobenzo[f][1]benzofuran-3-amine is NC1COc2cc3ccccc3cc21.
What is the InChIKey of 2,3-dihydrobenzo[f][1]benzofuran-3-amine?
The InChIKey is KITCDERHQOXDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c13-11-7-14-12-6-9-4-2-1-3-8(9)5-10(11)12/h1-6,11H,7,13H2.
What are the key properties of 2,3-dihydrobenzo[f][1]benzofuran-3-amine?
2,3-dihydrobenzo[f][1]benzofuran-3-amine has a molecular weight of 185.23 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrobenzo[f][1]benzofuran-3-amine is sourced from PubChem (CID 55272031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).