2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine

C10H11BrF3NO — CID 115512098

IUPAC2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine
SMILESCNCCOc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H11BrF3NO/c1-15-4-5-16-9-3-2-7(6-8(9)11)10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyFNDBPQNENYOVNW-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.07
Rot. Bonds4

About 2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine

2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine (PubChem CID 115512098) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is 2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine
PubChem CID115512098
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine
SMILESCNCCOc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H11BrF3NO/c1-15-4-5-16-9-3-2-7(6-8(9)11)10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyFNDBPQNENYOVNW-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-bromo-5-(trifluoromethyl)phenoxy]-N-methylpropan-1-amine
CID 68595999
3-bromo-4-[2-(methylamino)ethoxy]benzonitrile
CID 82801378
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 108881922
[2-bromo-4-(trifluoromethyl)phenyl] methyl carbonate
CID 131988221
4-[2-(methylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 113315524
N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 107303997
4-[2-bromo-4-(trifluoromethyl)phenoxy]-2-methylaniline
CID 115511819
4-(2-bromo-4-tert-butylphenoxy)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]butanamide
CID 108932581
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
[2-bromo-4-(trifluoromethyl)phenyl] acetate
CID 67308529
N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62597022
[4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 115512002

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine?
The IUPAC name of 2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine (CID 115512098) is 2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine is CNCCOc1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine?
The InChIKey is FNDBPQNENYOVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-15-4-5-16-9-3-2-7(6-8(9)11)10(12,13)14/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine?
2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine has a molecular weight of 298.10 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine is sourced from PubChem (CID 115512098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).