[3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine

C13H16N2O2 — CID 116945009

IUPAC[3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine
SMILESNCC1(C(N)c2coc3ccccc23)COC1
InChIInChI=1S/C13H16N2O2/c14-6-13(7-16-8-13)12(15)10-5-17-11-4-2-1-3-9(10)11/h1-5,12H,6-8,14-15H2
InChIKeyAIPCRZMKMWXJQW-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.41
Rot. Bonds3

About [3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine

[3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine (PubChem CID 116945009) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine
PubChem CID116945009
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine
SMILESNCC1(C(N)c2coc3ccccc23)COC1
InChIInChI=1S/C13H16N2O2/c14-6-13(7-16-8-13)12(15)10-5-17-11-4-2-1-3-9(10)11/h1-5,12H,6-8,14-15H2
InChIKeyAIPCRZMKMWXJQW-UHFFFAOYSA-N
XLogP1.41
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine
CID 116944998
1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 116912315
[3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine
CID 116944995
1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116943154
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
CID 116944913
methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate
CID 116944424
1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine
CID 116934253
1-benzofuran-3-yl(methoxy)methanamine
CID 116947357
2-[3-(1-benzofuran-3-yl)oxetan-3-yl]propan-2-amine
CID 116869512
[1-(1-benzofuran-3-yl)cyclopentyl]methanamine
CID 82613639
azetidin-3-yl(1-benzofuran-3-yl)methanamine
CID 116935405

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine?
The IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine (CID 116945009) is [3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine.
What is the SMILES notation for [3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine?
The canonical SMILES for [3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine is NCC1(C(N)c2coc3ccccc23)COC1.
What is the InChIKey of [3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine?
The InChIKey is AIPCRZMKMWXJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-6-13(7-16-8-13)12(15)10-5-17-11-4-2-1-3-9(10)11/h1-5,12H,6-8,14-15H2.
What are the key properties of [3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine?
[3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine has a molecular weight of 232.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 116945009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).