1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine

C14H20F3NO — CID 103214849

IUPAC1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)COCC(F)(F)F)c(C)c1
InChIInChI=1S/C14H20F3NO/c1-9-4-10(2)13(11(3)5-9)6-12(18)7-19-8-14(15,16)17/h4-5,12H,6-8,18H2,1-3H3
InChIKeyOEYJUCHIXISAOK-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.06
Rot. Bonds5

About 1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine

1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 103214849) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID103214849
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)COCC(F)(F)F)c(C)c1
InChIInChI=1S/C14H20F3NO/c1-9-4-10(2)13(11(3)5-9)6-12(18)7-19-8-14(15,16)17/h4-5,12H,6-8,18H2,1-3H3
InChIKeyOEYJUCHIXISAOK-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103474840
4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 103311794
1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216527
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214941
1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103214868
1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214570
4-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 113391370
[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 106884466
1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214921
[1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105215820
1-(2,2,2-trifluoroethoxy)octan-2-amine
CID 103214891

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine (CID 103214849) is 1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine is Cc1cc(C)c(CC(N)COCC(F)(F)F)c(C)c1.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is OEYJUCHIXISAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-9-4-10(2)13(11(3)5-9)6-12(18)7-19-8-14(15,16)17/h4-5,12H,6-8,18H2,1-3H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine?
1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 103214849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).