1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol

C15H21NO2 — CID 67919229

IUPAC1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1oc(CC)c2ccccc12
InChIInChI=1S/C15H21NO2/c1-3-9-16-10-13(17)15-12-8-6-5-7-11(12)14(4-2)18-15/h5-8,13,16-17H,3-4,9-10H2,1-2H3
InChIKeyLNHVDRSOXOIGIP-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.03
Rot. Bonds6

About 1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol

1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol (PubChem CID 67919229) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol
PubChem CID67919229
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1oc(CC)c2ccccc12
InChIInChI=1S/C15H21NO2/c1-3-9-16-10-13(17)15-12-8-6-5-7-11(12)14(4-2)18-15/h5-8,13,16-17H,3-4,9-10H2,1-2H3
InChIKeyLNHVDRSOXOIGIP-UHFFFAOYSA-N
XLogP3.03
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol?
The IUPAC name of 1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol (CID 67919229) is 1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol is CCCNCC(O)c1oc(CC)c2ccccc12.
What is the InChIKey of 1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol?
The InChIKey is LNHVDRSOXOIGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-9-16-10-13(17)15-12-8-6-5-7-11(12)14(4-2)18-15/h5-8,13,16-17H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol?
1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol has a molecular weight of 247.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-benzofuran-1-yl)-2-(propylamino)ethanol is sourced from PubChem (CID 67919229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).