2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol

C15H14BrF2NO2 — CID 60901393

IUPAC2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2c(F)cc(F)cc2Br)cc1
InChIInChI=1S/C15H14BrF2NO2/c1-21-11-4-2-9(3-5-11)14(20)8-19-15-12(16)6-10(17)7-13(15)18/h2-7,14,19-20H,8H2,1H3
InChIKeyAPAVOASVCSNEJR-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.88
Rot. Bonds5

About 2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol

2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol (PubChem CID 60901393) has the molecular formula C15H14BrF2NO2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
PubChem CID60901393
Molecular FormulaC15H14BrF2NO2
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC Name2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2c(F)cc(F)cc2Br)cc1
InChIInChI=1S/C15H14BrF2NO2/c1-21-11-4-2-9(3-5-11)14(20)8-19-15-12(16)6-10(17)7-13(15)18/h2-7,14,19-20H,8H2,1H3
InChIKeyAPAVOASVCSNEJR-UHFFFAOYSA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60900638
2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60900221
2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol
CID 107611576
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 107365116
2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876260
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
CID 60898183
1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea
CID 2209375
2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 60896340
3-fluoro-4-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]benzonitrile
CID 78916072
2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 81288515
2-(3,5-difluorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 62783768

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol (CID 60901393) is 2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNc2c(F)cc(F)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol?
The InChIKey is APAVOASVCSNEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO2/c1-21-11-4-2-9(3-5-11)14(20)8-19-15-12(16)6-10(17)7-13(15)18/h2-7,14,19-20H,8H2,1H3.
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol?
2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol has a molecular weight of 358.18 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 60901393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).