1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine

C15H21NO3 — CID 63685636

IUPAC1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
SMILESCCCOCCOCC(N)c1cc2ccccc2o1
InChIInChI=1S/C15H21NO3/c1-2-7-17-8-9-18-11-13(16)15-10-12-5-3-4-6-14(12)19-15/h3-6,10,13H,2,7-9,11,16H2,1H3
InChIKeyXDCQKWIESXDFBQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.88
Rot. Bonds8

About 1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine

1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine (PubChem CID 63685636) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
PubChem CID63685636
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
SMILESCCCOCCOCC(N)c1cc2ccccc2o1
InChIInChI=1S/C15H21NO3/c1-2-7-17-8-9-18-11-13(16)15-10-12-5-3-4-6-14(12)19-15/h3-6,10,13H,2,7-9,11,16H2,1H3
InChIKeyXDCQKWIESXDFBQ-UHFFFAOYSA-N
XLogP2.88
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-propoxyethanamine
CID 43247970
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 105184765
1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol
CID 103404430
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(1-benzofuran-2-yl)hex-4-yn-1-amine
CID 104805595
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032995
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-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 115942479
1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine
CID 114728782
1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438287
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine (CID 63685636) is 1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine is CCCOCCOCC(N)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine?
The InChIKey is XDCQKWIESXDFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-7-17-8-9-18-11-13(16)15-10-12-5-3-4-6-14(12)19-15/h3-6,10,13H,2,7-9,11,16H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine?
1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine is sourced from PubChem (CID 63685636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).