2-(aminomethyl)-1-benzofuran-6-amine

C9H10N2O — CID 45122675

IUPAC2-(aminomethyl)-1-benzofuran-6-amine
SMILESNCc1cc2ccc(N)cc2o1
InChIInChI=1S/C9H10N2O/c10-5-8-3-6-1-2-7(11)4-9(6)12-8/h1-4H,5,10-11H2
InChIKeyBFKLPHCOPDLLAL-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.47
Rot. Bonds1

About 2-(aminomethyl)-1-benzofuran-6-amine

2-(aminomethyl)-1-benzofuran-6-amine (PubChem CID 45122675) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(aminomethyl)-1-benzofuran-6-amine.

Molecular Properties

Compound Name2-(aminomethyl)-1-benzofuran-6-amine
PubChem CID45122675
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(aminomethyl)-1-benzofuran-6-amine
SMILESNCc1cc2ccc(N)cc2o1
InChIInChI=1S/C9H10N2O/c10-5-8-3-6-1-2-7(11)4-9(6)12-8/h1-4H,5,10-11H2
InChIKeyBFKLPHCOPDLLAL-UHFFFAOYSA-N
XLogP1.47
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-benzofuran-6-amine?
The IUPAC name of 2-(aminomethyl)-1-benzofuran-6-amine (CID 45122675) is 2-(aminomethyl)-1-benzofuran-6-amine.
What is the SMILES notation for 2-(aminomethyl)-1-benzofuran-6-amine?
The canonical SMILES for 2-(aminomethyl)-1-benzofuran-6-amine is NCc1cc2ccc(N)cc2o1.
What is the InChIKey of 2-(aminomethyl)-1-benzofuran-6-amine?
The InChIKey is BFKLPHCOPDLLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-5-8-3-6-1-2-7(11)4-9(6)12-8/h1-4H,5,10-11H2.
What are the key properties of 2-(aminomethyl)-1-benzofuran-6-amine?
2-(aminomethyl)-1-benzofuran-6-amine has a molecular weight of 162.19 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-benzofuran-6-amine is sourced from PubChem (CID 45122675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).