2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol

C15H13BrCl2FNO — CID 107592129

IUPAC2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
SMILESCc1cc(F)c(Br)cc1NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13BrCl2FNO/c1-8-4-13(19)11(16)6-14(8)20-7-15(21)10-5-9(17)2-3-12(10)18/h2-6,15,20-21H,7H2,1H3
InChIKeyJLXXXMWCAXKBSV-UHFFFAOYSA-N
MW393.08 g/mol
LogP5.35
Rot. Bonds4

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

2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol (PubChem CID 107592129) has the molecular formula C15H13BrCl2FNO and a molecular weight of 393.08 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
PubChem CID107592129
Molecular FormulaC15H13BrCl2FNO
Molecular Weight393.08 g/mol
Exact Mass390.95
IUPAC Name2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
SMILESCc1cc(F)c(Br)cc1NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13BrCl2FNO/c1-8-4-13(19)11(16)6-14(8)20-7-15(21)10-5-9(17)2-3-12(10)18/h2-6,15,20-21H,7H2,1H3
InChIKeyJLXXXMWCAXKBSV-UHFFFAOYSA-N
XLogP5.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.08
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 107591968
2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107634052
2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol
CID 63488275
1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
CID 60901653
1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
CID 60899526
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280
1-(5-bromo-4-fluoro-2-methylanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 107591853
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591449
5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline
CID 107591186
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol (CID 107592129) is 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol is Cc1cc(F)c(Br)cc1NCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol?
The InChIKey is JLXXXMWCAXKBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FNO/c1-8-4-13(19)11(16)6-14(8)20-7-15(21)10-5-9(17)2-3-12(10)18/h2-6,15,20-21H,7H2,1H3.
What are the key properties of 2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol?
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol has a molecular weight of 393.08 g/mol, XLogP of 5.35, 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-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 107592129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).