5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline

C15H14BrF2NO — CID 106262856

IUPAC5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline
SMILESCc1cc(C)c(OCc2c(F)ccc(Br)c2F)cc1N
InChIInChI=1S/C15H14BrF2NO/c1-8-5-9(2)14(6-13(8)19)20-7-10-12(17)4-3-11(16)15(10)18/h3-6H,7,19H2,1-2H3
InChIKeyWEEUXEQUOAOSHJ-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.51
Rot. Bonds3

About 5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline

5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline (PubChem CID 106262856) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline.

Molecular Properties

Compound Name5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline
PubChem CID106262856
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline
SMILESCc1cc(C)c(OCc2c(F)ccc(Br)c2F)cc1N
InChIInChI=1S/C15H14BrF2NO/c1-8-5-9(2)14(6-13(8)19)20-7-10-12(17)4-3-11(16)15(10)18/h3-6H,7,19H2,1-2H3
InChIKeyWEEUXEQUOAOSHJ-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline 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

3-[(3-bromo-2,6-difluorophenyl)methoxy]-2-methylaniline
CID 106262816
2-[(3-bromo-2,6-difluorophenyl)methoxy]-4,5-dichloroaniline
CID 106262854
2-bromo-3-[(3-bromo-2,6-difluorophenyl)methoxy]aniline
CID 106262844
1-bromo-3-[(5-bromo-2,3-difluorophenoxy)methyl]-2,4-difluorobenzene
CID 106264121
1-bromo-2,4-difluoro-3-[(2,4,5-trichlorophenoxy)methyl]benzene
CID 106269847
[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262966
4-[(3-bromo-2,6-difluorophenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 106264128
5-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzenecarbothioamide
CID 106264053
(1R)-1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 106264403
5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide
CID 106264677
O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
CID 106264573
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
CID 106269112

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline?
The IUPAC name of 5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline (CID 106262856) is 5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline.
What is the SMILES notation for 5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline?
The canonical SMILES for 5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline is Cc1cc(C)c(OCc2c(F)ccc(Br)c2F)cc1N.
What is the InChIKey of 5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline?
The InChIKey is WEEUXEQUOAOSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-8-5-9(2)14(6-13(8)19)20-7-10-12(17)4-3-11(16)15(10)18/h3-6H,7,19H2,1-2H3.
What are the key properties of 5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline?
5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline has a molecular weight of 342.18 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline is sourced from PubChem (CID 106262856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).