[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine

C12H15NO2 — CID 116829665

IUPAC[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine
SMILESNCC1(c2ccc3c(c2)CCO3)COC1
InChIInChI=1S/C12H15NO2/c13-6-12(7-14-8-12)10-1-2-11-9(5-10)3-4-15-11/h1-2,5H,3-4,6-8,13H2
InChIKeyYUVODBBOUUPTQM-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.85
Rot. Bonds2

About [3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine

[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine (PubChem CID 116829665) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine
PubChem CID116829665
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine
SMILESNCC1(c2ccc3c(c2)CCO3)COC1
InChIInChI=1S/C12H15NO2/c13-6-12(7-14-8-12)10-1-2-11-9(5-10)3-4-15-11/h1-2,5H,3-4,6-8,13H2
InChIKeyYUVODBBOUUPTQM-UHFFFAOYSA-N
XLogP0.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645
3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870294
2-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116869948
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylcyclopropyl]methanamine
CID 83705415
5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran
CID 116875895
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine
CID 116869677
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115249248
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
CID 116929020
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine
CID 116929348

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine (CID 116829665) is [3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine is NCC1(c2ccc3c(c2)CCO3)COC1.
What is the InChIKey of [3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine?
The InChIKey is YUVODBBOUUPTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-6-12(7-14-8-12)10-1-2-11-9(5-10)3-4-15-11/h1-2,5H,3-4,6-8,13H2.
What are the key properties of [3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine?
[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine has a molecular weight of 205.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116829665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).