3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol

C12H15F4NO — CID 113292116

IUPAC3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCNC(CCO)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F4NO/c1-2-17-11(3-4-18)8-5-9(12(14,15)16)7-10(13)6-8/h5-7,11,17-18H,2-4H2,1H3
InChIKeyRYQMDWGBKMPVOT-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.88
Rot. Bonds5

About 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol

3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 113292116) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID113292116
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCNC(CCO)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F4NO/c1-2-17-11(3-4-18)8-5-9(12(14,15)16)7-10(13)6-8/h5-7,11,17-18H,2-4H2,1H3
InChIKeyRYQMDWGBKMPVOT-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 115351334
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol
CID 115351216
3-[[2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]butan-1-ol
CID 83176675
1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 115516524
ethyl 2-(ethylamino)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate
CID 115350918
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
1-(3-bromo-5-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 66423655
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide
CID 115351332
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol (CID 113292116) is 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol is CCNC(CCO)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is RYQMDWGBKMPVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-2-17-11(3-4-18)8-5-9(12(14,15)16)7-10(13)6-8/h5-7,11,17-18H,2-4H2,1H3.
What are the key properties of 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol?
3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 265.25 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 113292116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).