2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol

C19H20FNO2 — CID 177267044

IUPAC2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol
SMILESOCCNCc1ccc2cc(CCc3ccc(F)cc3)oc2c1
InChIInChI=1S/C19H20FNO2/c20-17-6-2-14(3-7-17)4-8-18-12-16-5-1-15(11-19(16)23-18)13-21-9-10-22/h1-3,5-7,11-12,21-22H,4,8-10,13H2
InChIKeyOSOFLEGOCURXLZ-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.44
Rot. Bonds7

About 2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol

2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol (PubChem CID 177267044) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol
PubChem CID177267044
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol
SMILESOCCNCc1ccc2cc(CCc3ccc(F)cc3)oc2c1
InChIInChI=1S/C19H20FNO2/c20-17-6-2-14(3-7-17)4-8-18-12-16-5-1-15(11-19(16)23-18)13-21-9-10-22/h1-3,5-7,11-12,21-22H,4,8-10,13H2
InChIKeyOSOFLEGOCURXLZ-UHFFFAOYSA-N
XLogP3.44
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.44
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 2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol?
The IUPAC name of 2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol (CID 177267044) is 2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol?
The canonical SMILES for 2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol is OCCNCc1ccc2cc(CCc3ccc(F)cc3)oc2c1.
What is the InChIKey of 2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol?
The InChIKey is OSOFLEGOCURXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-17-6-2-14(3-7-17)4-8-18-12-16-5-1-15(11-19(16)23-18)13-21-9-10-22/h1-3,5-7,11-12,21-22H,4,8-10,13H2.
What are the key properties of 2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol?
2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol has a molecular weight of 313.37 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethanol is sourced from PubChem (CID 177267044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).