2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol

C15H14BrClFNO — CID 107591865

IUPAC2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
SMILESCc1cc(F)c(Br)cc1NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClFNO/c1-9-6-13(18)12(16)7-14(9)19-8-15(20)10-2-4-11(17)5-3-10/h2-7,15,19-20H,8H2,1H3
InChIKeyGXJDJOZHVJADQP-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.70
Rot. Bonds4

About 2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol

2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol (PubChem CID 107591865) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
PubChem CID107591865
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
SMILESCc1cc(F)c(Br)cc1NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClFNO/c1-9-6-13(18)12(16)7-14(9)19-8-15(20)10-2-4-11(17)5-3-10/h2-7,15,19-20H,8H2,1H3
InChIKeyGXJDJOZHVJADQP-UHFFFAOYSA-N
XLogP4.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)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-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107592129
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 107591968
2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104723407
2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724940
1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
CID 62809910
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline
CID 107591186
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
2-(5-chloro-2-methylanilino)-1-phenylethanol
CID 60721635
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol
CID 107591894
1-(5-bromo-4-fluoro-2-methylanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 107591853

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol (CID 107591865) is 2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol is Cc1cc(F)c(Br)cc1NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol?
The InChIKey is GXJDJOZHVJADQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-9-6-13(18)12(16)7-14(9)19-8-15(20)10-2-4-11(17)5-3-10/h2-7,15,19-20H,8H2,1H3.
What are the key properties of 2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol?
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol has a molecular weight of 358.64 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 107591865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).