2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine

C14H17NO2 — CID 116869512

IUPAC2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine
SMILESCC(C)(N)C1(c2coc3ccccc23)COC1
InChIInChI=1S/C14H17NO2/c1-13(2,15)14(8-16-9-14)11-7-17-12-6-4-3-5-10(11)12/h3-7H,8-9,15H2,1-2H3
InChIKeyZTKBWAAINCENAM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.44
Rot. Bonds2

About 2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine

2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine (PubChem CID 116869512) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine
PubChem CID116869512
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine
SMILESCC(C)(N)C1(c2coc3ccccc23)COC1
InChIInChI=1S/C14H17NO2/c1-13(2,15)14(8-16-9-14)11-7-17-12-6-4-3-5-10(11)12/h3-7H,8-9,15H2,1-2H3
InChIKeyZTKBWAAINCENAM-UHFFFAOYSA-N
XLogP2.44
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-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-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine?
The IUPAC name of 2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine (CID 116869512) is 2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for 2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine is CC(C)(N)C1(c2coc3ccccc23)COC1.
What is the InChIKey of 2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine?
The InChIKey is ZTKBWAAINCENAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-13(2,15)14(8-16-9-14)11-7-17-12-6-4-3-5-10(11)12/h3-7H,8-9,15H2,1-2H3.
What are the key properties of 2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine?
2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine is sourced from PubChem (CID 116869512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).