2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol

C13H17F4NO2 — CID 103992458

IUPAC2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol
SMILESOCCOCCCNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H17F4NO2/c14-12-7-10(6-11(8-12)13(15,16)17)9-18-2-1-4-20-5-3-19/h6-8,18-19H,1-5,9H2
InChIKeyFWTQLXQVVKDURX-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.33
Rot. Bonds8

About 2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol

2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol (PubChem CID 103992458) has the molecular formula C13H17F4NO2 and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol
PubChem CID103992458
Molecular FormulaC13H17F4NO2
Molecular Weight295.28 g/mol
Exact Mass295.12
IUPAC Name2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol
SMILESOCCOCCCNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H17F4NO2/c14-12-7-10(6-11(8-12)13(15,16)17)9-18-2-1-4-20-5-3-19/h6-8,18-19H,1-5,9H2
InChIKeyFWTQLXQVVKDURX-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.33
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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Related Compounds

3-butoxy-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115748160
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115350279
2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
CID 106235900
2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol
CID 103992424
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 115282805
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323
2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol
CID 103992731
2-[3-[(2,4,5-trifluorophenyl)methylamino]propoxy]ethanol
CID 103992547
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol
CID 115282873
2-[3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propoxy]ethanol
CID 103992734
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171481

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol (CID 103992458) is 2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol is OCCOCCCNCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol?
The InChIKey is FWTQLXQVVKDURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO2/c14-12-7-10(6-11(8-12)13(15,16)17)9-18-2-1-4-20-5-3-19/h6-8,18-19H,1-5,9H2.
What are the key properties of 2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol?
2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol has a molecular weight of 295.28 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol is sourced from PubChem (CID 103992458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).