1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine

C13H17F4NO — CID 107291989

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OCC(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F4NO/c1-12(2,3)19-7-11(18)8-4-5-10(14)9(6-8)13(15,16)17/h4-6,11H,7,18H2,1-3H3
InChIKeyWYXMOUUISDOHCA-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.66
Rot. Bonds3

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 107291989) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID107291989
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OCC(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F4NO/c1-12(2,3)19-7-11(18)8-4-5-10(14)9(6-8)13(15,16)17/h4-6,11H,7,18H2,1-3H3
InChIKeyWYXMOUUISDOHCA-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 107289462
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171202601
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
CID 118021265
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171222184
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171202599
methyl (3R)-3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 79020632
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171222149
methyl (3S)-3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171240523
3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoic acid
CID 79021977

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 107291989) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine is CC(C)(C)OCC(N)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is WYXMOUUISDOHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO/c1-12(2,3)19-7-11(18)8-4-5-10(14)9(6-8)13(15,16)17/h4-6,11H,7,18H2,1-3H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 279.28 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 107291989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).