1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine

C13H17NO2 — CID 114728782

IUPAC1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine
SMILESCCOC(C)C(N)c1cc2ccccc2o1
InChIInChI=1S/C13H17NO2/c1-3-15-9(2)13(14)12-8-10-6-4-5-7-11(10)16-12/h4-9,13H,3,14H2,1-2H3
InChIKeyZSWYDEZBTUOQLG-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.86
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine

1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine (PubChem CID 114728782) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine
PubChem CID114728782
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine
SMILESCCOC(C)C(N)c1cc2ccccc2o1
InChIInChI=1S/C13H17NO2/c1-3-15-9(2)13(14)12-8-10-6-4-5-7-11(10)16-12/h4-9,13H,3,14H2,1-2H3
InChIKeyZSWYDEZBTUOQLG-UHFFFAOYSA-N
XLogP2.86
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728785
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
2-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 64541977
2-butan-2-yl-1-benzofuran
CID 12065919
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine
CID 150642299
[1-(1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247149
2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729833
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685636
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 105184765
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethanamine
CID 114729832

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine (CID 114728782) is 1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine is CCOC(C)C(N)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine?
The InChIKey is ZSWYDEZBTUOQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-15-9(2)13(14)12-8-10-6-4-5-7-11(10)16-12/h4-9,13H,3,14H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine?
1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine has a molecular weight of 219.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine is sourced from PubChem (CID 114728782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).