1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine

C11H13BrF3NO — CID 79574373

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine
SMILESCCOCC(N)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-2-17-6-10(16)8-4-3-7(12)5-9(8)11(13,14)15/h3-5,10H,2,6,16H2,1H3
InChIKeyARMVTLIVVDBVNS-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.50
Rot. Bonds4

About 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine

1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine (PubChem CID 79574373) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine
PubChem CID79574373
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine
SMILESCCOCC(N)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-2-17-6-10(16)8-4-3-7(12)5-9(8)11(13,14)15/h3-5,10H,2,6,16H2,1H3
InChIKeyARMVTLIVVDBVNS-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-bromo-2-(trifluoromethyl)phenyl]hexan-1-amine
CID 55187013
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 62690862
1-[4-bromo-2-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 64566197
1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine
CID 83161775
ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108846
1-[4-bromo-2-(trifluoromethyl)phenyl]pent-4-yn-1-amine
CID 63642768
2-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]butan-1-ol
CID 107333682
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine
CID 107994199
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 79752934
2-[4-bromo-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 86649634
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 63416304

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine (CID 79574373) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine is CCOCC(N)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine?
The InChIKey is ARMVTLIVVDBVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c1-2-17-6-10(16)8-4-3-7(12)5-9(8)11(13,14)15/h3-5,10H,2,6,16H2,1H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine?
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine has a molecular weight of 312.13 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine is sourced from PubChem (CID 79574373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).