2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol

C16H23NO3 — CID 43207567

IUPAC2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
SMILESCCc1c(C(C)NCCOCCO)oc2ccccc12
InChIInChI=1S/C16H23NO3/c1-3-13-14-6-4-5-7-15(14)20-16(13)12(2)17-8-10-19-11-9-18/h4-7,12,17-18H,3,8-11H2,1-2H3
InChIKeySVKHJEHFJUJPAI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.65
Rot. Bonds8

About 2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol

2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol (PubChem CID 43207567) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
PubChem CID43207567
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
SMILESCCc1c(C(C)NCCOCCO)oc2ccccc12
InChIInChI=1S/C16H23NO3/c1-3-13-14-6-4-5-7-15(14)20-16(13)12(2)17-8-10-19-11-9-18/h4-7,12,17-18H,3,8-11H2,1-2H3
InChIKeySVKHJEHFJUJPAI-UHFFFAOYSA-N
XLogP2.65
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437
N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
CID 43108977
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 43551834
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
1-(3-ethyl-1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204821
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43567237
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103921055
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 104578869
N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 103904996
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001771
2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol
CID 115707279
2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol
CID 82705701

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol (CID 43207567) is 2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol is CCc1c(C(C)NCCOCCO)oc2ccccc12.
What is the InChIKey of 2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol?
The InChIKey is SVKHJEHFJUJPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-13-14-6-4-5-7-15(14)20-16(13)12(2)17-8-10-19-11-9-18/h4-7,12,17-18H,3,8-11H2,1-2H3.
What are the key properties of 2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol?
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol has a molecular weight of 277.36 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol is sourced from PubChem (CID 43207567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).