dibenzofuran-4-ylmethanamine

C13H11NO — CID 82606963

IUPACdibenzofuran-4-ylmethanamine
SMILESNCc1cccc2c1oc1ccccc12
InChIInChI=1S/C13H11NO/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h1-7H,8,14H2
InChIKeyCMEOSJIENQFILG-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.04
Rot. Bonds1

About dibenzofuran-4-ylmethanamine

dibenzofuran-4-ylmethanamine (PubChem CID 82606963) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is dibenzofuran-4-ylmethanamine.

Molecular Properties

Compound Namedibenzofuran-4-ylmethanamine
PubChem CID82606963
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Namedibenzofuran-4-ylmethanamine
SMILESNCc1cccc2c1oc1ccccc12
InChIInChI=1S/C13H11NO/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h1-7H,8,14H2
InChIKeyCMEOSJIENQFILG-UHFFFAOYSA-N
XLogP3.04
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-4-ylmethanamine?
The IUPAC name of dibenzofuran-4-ylmethanamine (CID 82606963) is dibenzofuran-4-ylmethanamine.
What is the SMILES notation for dibenzofuran-4-ylmethanamine?
The canonical SMILES for dibenzofuran-4-ylmethanamine is NCc1cccc2c1oc1ccccc12.
What is the InChIKey of dibenzofuran-4-ylmethanamine?
The InChIKey is CMEOSJIENQFILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h1-7H,8,14H2.
What are the key properties of dibenzofuran-4-ylmethanamine?
dibenzofuran-4-ylmethanamine has a molecular weight of 197.24 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-4-ylmethanamine is sourced from PubChem (CID 82606963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).