3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol

C13H18F3NO2 — CID 63899798

IUPAC3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
SMILESCCNC(C)c1ccc(OCC(O)C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2/c1-3-17-9(2)10-4-6-11(7-5-10)19-8-12(18)13(14,15)16/h4-7,9,12,17-18H,3,8H2,1-2H3
InChIKeyGADIVKJDWJXBME-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.66
Rot. Bonds6

About 3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol

3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol (PubChem CID 63899798) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
PubChem CID63899798
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
SMILESCCNC(C)c1ccc(OCC(O)C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2/c1-3-17-9(2)10-4-6-11(7-5-10)19-8-12(18)13(14,15)16/h4-7,9,12,17-18H,3,8H2,1-2H3
InChIKeyGADIVKJDWJXBME-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 63899797
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
3-[4-[(1S)-1-aminoethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900014
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 103156424
methyl 4-(3,3,3-trifluoro-2-hydroxypropoxy)benzoate
CID 65019211
N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587927
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43285146
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 61486666
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol (CID 63899798) is 3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol is CCNC(C)c1ccc(OCC(O)C(F)(F)F)cc1.
What is the InChIKey of 3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol?
The InChIKey is GADIVKJDWJXBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-3-17-9(2)10-4-6-11(7-5-10)19-8-12(18)13(14,15)16/h4-7,9,12,17-18H,3,8H2,1-2H3.
What are the key properties of 3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol?
3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol has a molecular weight of 277.29 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).