1-(1-benzofuran-2-yl)-2-propoxyethanamine

C13H17NO2 — CID 43247970

IUPAC1-(1-benzofuran-2-yl)-2-propoxyethanamine
SMILESCCCOCC(N)c1cc2ccccc2o1
InChIInChI=1S/C13H17NO2/c1-2-7-15-9-11(14)13-8-10-5-3-4-6-12(10)16-13/h3-6,8,11H,2,7,9,14H2,1H3
InChIKeyLARISPHHBFUWFD-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.86
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-propoxyethanamine

1-(1-benzofuran-2-yl)-2-propoxyethanamine (PubChem CID 43247970) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-propoxyethanamine
PubChem CID43247970
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(1-benzofuran-2-yl)-2-propoxyethanamine
SMILESCCCOCC(N)c1cc2ccccc2o1
InChIInChI=1S/C13H17NO2/c1-2-7-15-9-11(14)13-8-10-5-3-4-6-12(10)16-13/h3-6,8,11H,2,7,9,14H2,1H3
InChIKeyLARISPHHBFUWFD-UHFFFAOYSA-N
XLogP2.86
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685636
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 105184765
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(1-benzofuran-2-yl)hex-4-yn-1-amine
CID 104805595
1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine
CID 43096132
1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine
CID 43098131
1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine
CID 114728782
1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438287
2-[5-(2-methylpropoxy)pentan-2-yl]-1-benzofuran
CID 173058353
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
CID 64614485
1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
CID 105184741

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-propoxyethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-propoxyethanamine (CID 43247970) is 1-(1-benzofuran-2-yl)-2-propoxyethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-propoxyethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-propoxyethanamine is CCCOCC(N)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-propoxyethanamine?
The InChIKey is LARISPHHBFUWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-7-15-9-11(14)13-8-10-5-3-4-6-12(10)16-13/h3-6,8,11H,2,7,9,14H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-propoxyethanamine?
1-(1-benzofuran-2-yl)-2-propoxyethanamine has a molecular weight of 219.28 g/mol, XLogP of 2.86, 5 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-propoxyethanamine is sourced from PubChem (CID 43247970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).