2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol

C15H13Br2F2NO — CID 63489722

IUPAC2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
SMILESCc1cc(Br)c(NCC(O)c2c(F)cccc2F)c(Br)c1
InChIInChI=1S/C15H13Br2F2NO/c1-8-5-9(16)15(10(17)6-8)20-7-13(21)14-11(18)3-2-4-12(14)19/h2-6,13,20-21H,7H2,1H3
InChIKeyUWTSMBMHDCTVQC-UHFFFAOYSA-N
MW421.08 g/mol
LogP4.94
Rot. Bonds4

About 2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol

2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol (PubChem CID 63489722) has the molecular formula C15H13Br2F2NO and a molecular weight of 421.08 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
PubChem CID63489722
Molecular FormulaC15H13Br2F2NO
Molecular Weight421.08 g/mol
Exact Mass418.93
IUPAC Name2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
SMILESCc1cc(Br)c(NCC(O)c2c(F)cccc2F)c(Br)c1
InChIInChI=1S/C15H13Br2F2NO/c1-8-5-9(16)15(10(17)6-8)20-7-13(21)14-11(18)3-2-4-12(14)19/h2-6,13,20-21H,7H2,1H3
InChIKeyUWTSMBMHDCTVQC-UHFFFAOYSA-N
XLogP4.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.08
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol
CID 107598972
2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 60899627
2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline
CID 60922012
1-(2,6-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811525
2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
CID 61074855
1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol
CID 79769099
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-6-methylbenzonitrile
CID 107804357
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
CID 111449320
2-[(2-bromo-4,6-dimethylanilino)methyl]-6-fluorophenol
CID 112607112
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol (CID 63489722) is 2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol is Cc1cc(Br)c(NCC(O)c2c(F)cccc2F)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol?
The InChIKey is UWTSMBMHDCTVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2NO/c1-8-5-9(16)15(10(17)6-8)20-7-13(21)14-11(18)3-2-4-12(14)19/h2-6,13,20-21H,7H2,1H3.
What are the key properties of 2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol?
2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol has a molecular weight of 421.08 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 63489722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).