1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine

C12H15BrF3NO — CID 105013086

IUPAC1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H15BrF3NO/c1-7(2)18-6-11(17)8-3-4-10(13)9(5-8)12(14,15)16/h3-5,7,11H,6,17H2,1-2H3
InChIKeyRFBWTXIVDYHLRF-UHFFFAOYSA-N
MW326.16 g/mol
LogP3.89
Rot. Bonds4

About 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine

1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine (PubChem CID 105013086) has the molecular formula C12H15BrF3NO and a molecular weight of 326.16 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine
PubChem CID105013086
Molecular FormulaC12H15BrF3NO
Molecular Weight326.16 g/mol
Exact Mass325.03
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H15BrF3NO/c1-7(2)18-6-11(17)8-3-4-10(13)9(5-8)12(14,15)16/h3-5,7,11H,6,17H2,1-2H3
InChIKeyRFBWTXIVDYHLRF-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-3-(trifluoromethyl)phenyl]butan-1-amine
CID 114982015
1-[4-bromo-3-(trifluoromethyl)phenyl]heptan-1-amine
CID 115833310
1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
CID 105013461
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-amine
CID 115848231
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
CID 105325831
1-[4-bromo-3-(trifluoromethyl)phenyl]-N,2-dimethylbutan-1-amine
CID 105017562
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107291989
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine
CID 115781012
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
CID 118021265
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol
CID 115787663

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine (CID 105013086) is 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine is CC(C)OCC(N)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine?
The InChIKey is RFBWTXIVDYHLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3NO/c1-7(2)18-6-11(17)8-3-4-10(13)9(5-8)12(14,15)16/h3-5,7,11H,6,17H2,1-2H3.
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine?
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine has a molecular weight of 326.16 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105013086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).