2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol

C18H22FNO3 — CID 17155194

IUPAC2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H22FNO3/c19-17-7-5-15(6-8-17)14-23-18-4-2-1-3-16(18)13-20-9-11-22-12-10-21/h1-8,20-21H,9-14H2
InChIKeyFQIXHOLRCOAPDF-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.50
Rot. Bonds10

About 2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol

2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol (PubChem CID 17155194) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
PubChem CID17155194
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H22FNO3/c19-17-7-5-15(6-8-17)14-23-18-4-2-1-3-16(18)13-20-9-11-22-12-10-21/h1-8,20-21H,9-14H2
InChIKeyFQIXHOLRCOAPDF-UHFFFAOYSA-N
XLogP2.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.50
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-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
CID 102444898
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4718343
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17292514
2-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155250
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214025
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214024
2-[3-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214027
4-[[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid;hydrochloride
CID 17294879
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155048

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol (CID 17155194) is 2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol is OCCOCCNCc1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol?
The InChIKey is FQIXHOLRCOAPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c19-17-7-5-15(6-8-17)14-23-18-4-2-1-3-16(18)13-20-9-11-22-12-10-21/h1-8,20-21H,9-14H2.
What are the key properties of 2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol?
2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol has a molecular weight of 319.38 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 17155194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).