4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol

C15H15BrFNO — CID 28932268

IUPAC4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol
SMILESCc1cc(CNc2ccc(Br)cc2F)cc(C)c1O
InChIInChI=1S/C15H15BrFNO/c1-9-5-11(6-10(2)15(9)19)8-18-14-4-3-12(16)7-13(14)17/h3-7,18-19H,8H2,1-2H3
InChIKeyUUMQDPABDIDEFA-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.52
Rot. Bonds3

About 4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol

4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol (PubChem CID 28932268) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol
PubChem CID28932268
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol
SMILESCc1cc(CNc2ccc(Br)cc2F)cc(C)c1O
InChIInChI=1S/C15H15BrFNO/c1-9-5-11(6-10(2)15(9)19)8-18-14-4-3-12(16)7-13(14)17/h3-7,18-19H,8H2,1-2H3
InChIKeyUUMQDPABDIDEFA-UHFFFAOYSA-N
XLogP4.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol 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

4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol
CID 28932226
4-bromo-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 55199010
4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821802
4-bromo-N-[(3,4-dibromophenyl)methyl]-2-fluoroaniline
CID 113483233
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932344
4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
CID 28932248
4-[(4-bromo-2,6-dimethylanilino)methyl]-2,6-dimethylphenol
CID 63449025
4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol
CID 107629630
4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63203814
4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932187
4-[(5-bromo-2-chloroanilino)methyl]-2,6-difluorophenol
CID 79891306
4-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-fluoroaniline
CID 102830284

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol (CID 28932268) is 4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol is Cc1cc(CNc2ccc(Br)cc2F)cc(C)c1O.
What is the InChIKey of 4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol?
The InChIKey is UUMQDPABDIDEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-9-5-11(6-10(2)15(9)19)8-18-14-4-3-12(16)7-13(14)17/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol?
4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol has a molecular weight of 324.19 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 28932268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).