2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol

C21H24F5NO3 — CID 168958757

IUPAC2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol
SMILESCC(C)(C)Oc1ccc(OCc2cc(C(F)(F)F)c(F)cc2F)c(CNCCO)c1
InChIInChI=1S/C21H24F5NO3/c1-20(2,3)30-15-4-5-19(13(8-15)11-27-6-7-28)29-12-14-9-16(21(24,25)26)18(23)10-17(14)22/h4-5,8-10,27-28H,6-7,11-12H2,1-3H3
InChIKeyAEFSILCXGGYVIX-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.82
Rot. Bonds8

About 2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol

2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol (PubChem CID 168958757) has the molecular formula C21H24F5NO3 and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol
PubChem CID168958757
Molecular FormulaC21H24F5NO3
Molecular Weight433.42 g/mol
Exact Mass433.17
IUPAC Name2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol
SMILESCC(C)(C)Oc1ccc(OCc2cc(C(F)(F)F)c(F)cc2F)c(CNCCO)c1
InChIInChI=1S/C21H24F5NO3/c1-20(2,3)30-15-4-5-19(13(8-15)11-27-6-7-28)29-12-14-9-16(21(24,25)26)18(23)10-17(14)22/h4-5,8-10,27-28H,6-7,11-12H2,1-3H3
InChIKeyAEFSILCXGGYVIX-UHFFFAOYSA-N
XLogP4.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol with MolForge

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Related Compounds

2-[[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-5-pent-3-ynoxyphenyl]methylamino]ethanol
CID 170007205
2-[[5-amino-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol
CID 176582611
2-[[5-bromo-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol
CID 135397656
1-(2-hydroxyethyl)-3-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]urea
CID 111474109
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 97179200
2-[[5-bromo-4-ethynyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol
CID 168959504
2-[2-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 4720990
2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
CID 94687236
2-[2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 4720668
1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60880225
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol
CID 125472147

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol?
The IUPAC name of 2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol (CID 168958757) is 2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol is CC(C)(C)Oc1ccc(OCc2cc(C(F)(F)F)c(F)cc2F)c(CNCCO)c1.
What is the InChIKey of 2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol?
The InChIKey is AEFSILCXGGYVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F5NO3/c1-20(2,3)30-15-4-5-19(13(8-15)11-27-6-7-28)29-12-14-9-16(21(24,25)26)18(23)10-17(14)22/h4-5,8-10,27-28H,6-7,11-12H2,1-3H3.
What are the key properties of 2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol?
2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol has a molecular weight of 433.42 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]ethanol is sourced from PubChem (CID 168958757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).