1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine

C11H14F3NO — CID 66274601

IUPAC1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC(C)C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-7(15)9-3-5-10(6-4-9)16-8(2)11(12,13)14/h3-8H,15H2,1-2H3
InChIKeyXGVOBYHJSBMANR-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.04
Rot. Bonds3

About 1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine

1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine (PubChem CID 66274601) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine
PubChem CID66274601
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC(C)C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-7(15)9-3-5-10(6-4-9)16-8(2)11(12,13)14/h3-8H,15H2,1-2H3
InChIKeyXGVOBYHJSBMANR-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline
CID 66580012
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
[4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride
CID 156808519
[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanamine;hydrochloride
CID 166667087
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
3-[4-[(1S)-1-aminoethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900014
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 61491408
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 87336288
(1S)-2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171311850
(1S)-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 131081416

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine (CID 66274601) is 1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine is CC(N)c1ccc(OC(C)C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine?
The InChIKey is XGVOBYHJSBMANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(15)9-3-5-10(6-4-9)16-8(2)11(12,13)14/h3-8H,15H2,1-2H3.
What are the key properties of 1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine?
1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine has a molecular weight of 233.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 66274601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).