2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine

C12H14N2O — CID 117179242

IUPAC2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine
SMILESNc1ccc2cc(CNC3CC3)oc2c1
InChIInChI=1S/C12H14N2O/c13-9-2-1-8-5-11(15-12(8)6-9)7-14-10-3-4-10/h1-2,5-6,10,14H,3-4,7,13H2
InChIKeyPXTBEGLBTOFNSD-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.27
Rot. Bonds3

About 2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine

2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine (PubChem CID 117179242) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine
PubChem CID117179242
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine
SMILESNc1ccc2cc(CNC3CC3)oc2c1
InChIInChI=1S/C12H14N2O/c13-9-2-1-8-5-11(15-12(8)6-9)7-14-10-3-4-10/h1-2,5-6,10,14H,3-4,7,13H2
InChIKeyPXTBEGLBTOFNSD-UHFFFAOYSA-N
XLogP2.27
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(cyclopropylamino)methyl]-1-benzofuran-6-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-[(cyclopropylamino)methyl]-1-benzofuran-6-amine?
The IUPAC name of 2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine (CID 117179242) is 2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine is Nc1ccc2cc(CNC3CC3)oc2c1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine?
The InChIKey is PXTBEGLBTOFNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-9-2-1-8-5-11(15-12(8)6-9)7-14-10-3-4-10/h1-2,5-6,10,14H,3-4,7,13H2.
What are the key properties of 2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine?
2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine has a molecular weight of 202.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-1-benzofuran-6-amine is sourced from PubChem (CID 117179242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).