3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol

C12H15F4NO2 — CID 112609565

IUPAC3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
SMILESCCNCc1cccc(F)c1OCC(O)C(F)(F)F
InChIInChI=1S/C12H15F4NO2/c1-2-17-6-8-4-3-5-9(13)11(8)19-7-10(18)12(14,15)16/h3-5,10,17-18H,2,6-7H2,1H3
InChIKeyOQOSIIFIEVQCRO-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.24
Rot. Bonds6

About 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol

3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol (PubChem CID 112609565) has the molecular formula C12H15F4NO2 and a molecular weight of 281.25 g/mol. Its IUPAC name is 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
PubChem CID112609565
Molecular FormulaC12H15F4NO2
Molecular Weight281.25 g/mol
Exact Mass281.10
IUPAC Name3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
SMILESCCNCc1cccc(F)c1OCC(O)C(F)(F)F
InChIInChI=1S/C12H15F4NO2/c1-2-17-6-8-4-3-5-9(13)11(8)19-7-10(18)12(14,15)16/h3-5,10,17-18H,2,6-7H2,1H3
InChIKeyOQOSIIFIEVQCRO-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955288
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 112609626
1-butoxy-3-[2-(ethylaminomethyl)-6-fluorophenoxy]propan-2-ol
CID 107262389
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 115953315
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol (CID 112609565) is 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol is CCNCc1cccc(F)c1OCC(O)C(F)(F)F.
What is the InChIKey of 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OQOSIIFIEVQCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO2/c1-2-17-6-8-4-3-5-9(13)11(8)19-7-10(18)12(14,15)16/h3-5,10,17-18H,2,6-7H2,1H3.
What are the key properties of 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol?
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol has a molecular weight of 281.25 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 112609565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).