1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine

C12H16N2O — CID 65244917

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
SMILESNC1CN(Cc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C12H16N2O/c13-11-7-14(8-11)6-9-1-2-12-10(5-9)3-4-15-12/h1-2,5,11H,3-4,6-8,13H2
InChIKeyQDKLICOYUDCGPU-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.76
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine

1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine (PubChem CID 65244917) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
PubChem CID65244917
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
SMILESNC1CN(Cc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C12H16N2O/c13-11-7-14(8-11)6-9-1-2-12-10(5-9)3-4-15-12/h1-2,5,11H,3-4,6-8,13H2
InChIKeyQDKLICOYUDCGPU-UHFFFAOYSA-N
XLogP0.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65062998
4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine
CID 155800422
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanamine
CID 63596533
6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678269
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylmorpholine
CID 131900950
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240821
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113743
(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine
CID 29001171
4-(bromomethyl)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-one
CID 168505067
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane
CID 138988946
4-(chloromethyl)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazole
CID 121208805

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine (CID 65244917) is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine is NC1CN(Cc2ccc3c(c2)CCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine?
The InChIKey is QDKLICOYUDCGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-7-14(8-11)6-9-1-2-12-10(5-9)3-4-15-12/h1-2,5,11H,3-4,6-8,13H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine?
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine has a molecular weight of 204.27 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 65244917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).