azetidin-3-yl(1-benzofuran-3-yl)methanamine

C12H14N2O — CID 116935405

IUPACazetidin-3-yl(1-benzofuran-3-yl)methanamine
SMILESNC(c1coc2ccccc12)C1CNC1
InChIInChI=1S/C12H14N2O/c13-12(8-5-14-6-8)10-7-15-11-4-2-1-3-9(10)11/h1-4,7-8,12,14H,5-6,13H2
InChIKeyCLTIUWDVJFHAOG-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.65
Rot. Bonds2

About azetidin-3-yl(1-benzofuran-3-yl)methanamine

azetidin-3-yl(1-benzofuran-3-yl)methanamine (PubChem CID 116935405) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is azetidin-3-yl(1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Nameazetidin-3-yl(1-benzofuran-3-yl)methanamine
PubChem CID116935405
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Nameazetidin-3-yl(1-benzofuran-3-yl)methanamine
SMILESNC(c1coc2ccccc12)C1CNC1
InChIInChI=1S/C12H14N2O/c13-12(8-5-14-6-8)10-7-15-11-4-2-1-3-9(10)11/h1-4,7-8,12,14H,5-6,13H2
InChIKeyCLTIUWDVJFHAOG-UHFFFAOYSA-N
XLogP1.65
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-3-yl(chloro)methanamine
CID 116947842
1-benzofuran-3-yl(piperazin-1-yl)methanamine
CID 116939837
3-(1-benzofuran-3-ylmethyl)azetidine
CID 80700831
1-benzofuran-3-yl(methoxy)methanamine
CID 116947357
[1-benzofuran-3-yl(cyclohexyl)methyl]hydrazine
CID 105262439
[1-(1-benzofuran-3-yl)-2-cyclobutylethyl]hydrazine
CID 105262478
[1-(1-benzofuran-3-yl)-2-cyclopentylethyl]hydrazine
CID 105262388
1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195
3-benzhydryl-1-benzofuran
CID 53493031
[3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine
CID 116945009
1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116943154
(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
CID 165356907

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl(1-benzofuran-3-yl)methanamine?
The IUPAC name of azetidin-3-yl(1-benzofuran-3-yl)methanamine (CID 116935405) is azetidin-3-yl(1-benzofuran-3-yl)methanamine.
What is the SMILES notation for azetidin-3-yl(1-benzofuran-3-yl)methanamine?
The canonical SMILES for azetidin-3-yl(1-benzofuran-3-yl)methanamine is NC(c1coc2ccccc12)C1CNC1.
What is the InChIKey of azetidin-3-yl(1-benzofuran-3-yl)methanamine?
The InChIKey is CLTIUWDVJFHAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-12(8-5-14-6-8)10-7-15-11-4-2-1-3-9(10)11/h1-4,7-8,12,14H,5-6,13H2.
What are the key properties of azetidin-3-yl(1-benzofuran-3-yl)methanamine?
azetidin-3-yl(1-benzofuran-3-yl)methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl(1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 116935405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).