2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol

C15H14BrF2NO — CID 63334175

IUPAC2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccc(F)c(F)c2)cc1Br
InChIInChI=1S/C15H14BrF2NO/c1-9-2-4-11(7-12(9)16)19-8-15(20)10-3-5-13(17)14(18)6-10/h2-7,15,19-20H,8H2,1H3
InChIKeyRFFYXMUXBSEANC-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.18
Rot. Bonds4

About 2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol

2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol (PubChem CID 63334175) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
PubChem CID63334175
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccc(F)c(F)c2)cc1Br
InChIInChI=1S/C15H14BrF2NO/c1-9-2-4-11(7-12(9)16)19-8-15(20)10-3-5-13(17)14(18)6-10/h2-7,15,19-20H,8H2,1H3
InChIKeyRFFYXMUXBSEANC-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol 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

2-(3-bromo-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63492470
1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 63333952
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
4-[2-(3-bromo-4-methylanilino)-1-hydroxyethyl]benzonitrile
CID 63334074
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol
CID 60909290
2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724940
2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 107633844
1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol
CID 60897262
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol (CID 63334175) is 2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol is Cc1ccc(NCC(O)c2ccc(F)c(F)c2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol?
The InChIKey is RFFYXMUXBSEANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9-2-4-11(7-12(9)16)19-8-15(20)10-3-5-13(17)14(18)6-10/h2-7,15,19-20H,8H2,1H3.
What are the key properties of 2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol?
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol has a molecular weight of 342.18 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 63334175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).