2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol

C15H14BrF2NO — CID 107633844

IUPAC2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol
SMILESCc1c(Br)cccc1NCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14BrF2NO/c1-9-11(16)3-2-4-14(9)19-8-15(20)10-5-6-12(17)13(18)7-10/h2-7,15,19-20H,8H2,1H3
InChIKeyOTRWWHDOMCTBRS-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.18
Rot. Bonds4

About 2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol

2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol (PubChem CID 107633844) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol
PubChem CID107633844
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol
SMILESCc1c(Br)cccc1NCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14BrF2NO/c1-9-11(16)3-2-4-14(9)19-8-15(20)10-5-6-12(17)13(18)7-10/h2-7,15,19-20H,8H2,1H3
InChIKeyOTRWWHDOMCTBRS-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

1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107634052
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
1-(4-fluoro-3-methylphenyl)-2-(2-methylanilino)ethanol
CID 82121205
2-(2-bromoanilino)-1-(3-fluorophenyl)ethanol
CID 60897612
2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60901009
1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
2-(3-bromo-2-methylanilino)-1-thiophen-2-ylethanol
CID 107633618
3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol
CID 82121199
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylbenzonitrile
CID 62104481

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol (CID 107633844) is 2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol is Cc1c(Br)cccc1NCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol?
The InChIKey is OTRWWHDOMCTBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9-11(16)3-2-4-14(9)19-8-15(20)10-5-6-12(17)13(18)7-10/h2-7,15,19-20H,8H2,1H3.
What are the key properties of 2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol?
2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)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-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 107633844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).