3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol

C14H12BrF2NO — CID 107591256

IUPAC3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol
SMILESCc1cc(F)c(Br)cc1NCc1cc(O)cc(F)c1
InChIInChI=1S/C14H12BrF2NO/c1-8-2-13(17)12(15)6-14(8)18-7-9-3-10(16)5-11(19)4-9/h2-6,18-19H,7H2,1H3
InChIKeyFVKLEAQPUJNBNQ-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.35
Rot. Bonds3

About 3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol

3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol (PubChem CID 107591256) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol.

Molecular Properties

Compound Name3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol
PubChem CID107591256
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol
SMILESCc1cc(F)c(Br)cc1NCc1cc(O)cc(F)c1
InChIInChI=1S/C14H12BrF2NO/c1-8-2-13(17)12(15)6-14(8)18-7-9-3-10(16)5-11(19)4-9/h2-6,18-19H,7H2,1H3
InChIKeyFVKLEAQPUJNBNQ-UHFFFAOYSA-N
XLogP4.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol 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-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 105403343
4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953697
4-[(5-bromo-4-fluoro-2-methylanilino)methyl]benzene-1,3-diol
CID 103271230
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591449
5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107591833
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
4-bromo-2-[(5-bromo-4-fluoro-2-methylanilino)methyl]phenol
CID 107738057
5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline
CID 107591565
3-[(2,6-dibromoanilino)methyl]-5-fluorophenol
CID 107597088
5-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 107591598
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-methylaniline
CID 107591591
5-bromo-4-fluoro-N-[(3-fluoro-4-nitrophenyl)methyl]-2-methylaniline
CID 107591900

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol?
The IUPAC name of 3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol (CID 107591256) is 3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol.
What is the SMILES notation for 3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol?
The canonical SMILES for 3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol is Cc1cc(F)c(Br)cc1NCc1cc(O)cc(F)c1.
What is the InChIKey of 3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol?
The InChIKey is FVKLEAQPUJNBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-8-2-13(17)12(15)6-14(8)18-7-9-3-10(16)5-11(19)4-9/h2-6,18-19H,7H2,1H3.
What are the key properties of 3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol?
3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol has a molecular weight of 328.16 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol is sourced from PubChem (CID 107591256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).