2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol

C15H14BrF2NO — CID 79050260

IUPAC2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
SMILESCc1cc(F)cc(NC(CO)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrF2NO/c1-9-4-11(17)7-12(5-9)19-15(8-20)13-6-10(16)2-3-14(13)18/h2-7,15,19-20H,8H2,1H3
InChIKeyODNYLZFXFMDQSO-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.18
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol

2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol (PubChem CID 79050260) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
PubChem CID79050260
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
SMILESCc1cc(F)cc(NC(CO)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrF2NO/c1-9-4-11(17)7-12(5-9)19-15(8-20)13-6-10(16)2-3-14(13)18/h2-7,15,19-20H,8H2,1H3
InChIKeyODNYLZFXFMDQSO-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

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Related Compounds

2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol
CID 61050655
2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050493
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 79050588
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049466
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 79049542
2-(2-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049315
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049935
2-(1-benzothiophen-3-yl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79046382
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
2-anilino-2-(5-bromo-2-chlorophenyl)ethanol
CID 114077180

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol (CID 79050260) is 2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol is Cc1cc(F)cc(NC(CO)c2cc(Br)ccc2F)c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
The InChIKey is ODNYLZFXFMDQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9-4-11(17)7-12(5-9)19-15(8-20)13-6-10(16)2-3-14(13)18/h2-7,15,19-20H,8H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)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-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol is sourced from PubChem (CID 79050260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).