2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol

C14H18FNO3 — CID 110019175

IUPAC2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol
SMILESOCCOCCCNCc1cc2cc(F)ccc2o1
InChIInChI=1S/C14H18FNO3/c15-12-2-3-14-11(8-12)9-13(19-14)10-16-4-1-6-18-7-5-17/h2-3,8-9,16-17H,1,4-7,10H2
InChIKeyLEDWHODYHKNYAW-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.06
Rot. Bonds8

About 2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol

2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol (PubChem CID 110019175) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol
PubChem CID110019175
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol
SMILESOCCOCCCNCc1cc2cc(F)ccc2o1
InChIInChI=1S/C14H18FNO3/c15-12-2-3-14-11(8-12)9-13(19-14)10-16-4-1-6-18-7-5-17/h2-3,8-9,16-17H,1,4-7,10H2
InChIKeyLEDWHODYHKNYAW-UHFFFAOYSA-N
XLogP2.06
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.06
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-[3-[(2-bromo-4-fluorophenyl)methylamino]propoxy]ethanol
CID 103992524
[1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579350
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
2-[3-[(2,4,5-trifluorophenyl)methylamino]propoxy]ethanol
CID 103992547
5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid
CID 106305544
1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol
CID 111579203
3-[(5-fluoro-1-benzofuran-2-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824890
2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol
CID 103992458
4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120963033
2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol
CID 111579089
2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol
CID 103992424

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol (CID 110019175) is 2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol is OCCOCCCNCc1cc2cc(F)ccc2o1.
What is the InChIKey of 2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol?
The InChIKey is LEDWHODYHKNYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-12-2-3-14-11(8-12)9-13(19-14)10-16-4-1-6-18-7-5-17/h2-3,8-9,16-17H,1,4-7,10H2.
What are the key properties of 2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol?
2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol has a molecular weight of 267.30 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol is sourced from PubChem (CID 110019175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).