4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol

C9H11BrFNO2 — CID 84807282

IUPAC4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(O)c1c(Br)ccc(O)c1F
InChIInChI=1S/C9H11BrFNO2/c1-12-4-7(14)8-5(10)2-3-6(13)9(8)11/h2-3,7,12-14H,4H2,1H3
InChIKeyDGNXUPROWUFUSM-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.55
Rot. Bonds3

About 4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol

4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol (PubChem CID 84807282) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
PubChem CID84807282
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(O)c1c(Br)ccc(O)c1F
InChIInChI=1S/C9H11BrFNO2/c1-12-4-7(14)8-5(10)2-3-6(13)9(8)11/h2-3,7,12-14H,4H2,1H3
InChIKeyDGNXUPROWUFUSM-UHFFFAOYSA-N
XLogP1.55
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
CID 117488081
4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84685212
6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
CID 84806395
3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol
CID 84806393
2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol
CID 117293115
1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 118658154
1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol
CID 84710705
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
CID 84805808
1-(6-bromo-2-fluoro-3-methylsulfanylphenyl)propan-1-ol
CID 171367653
1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117468684
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
3-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
CID 82400506

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol?
The IUPAC name of 4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol (CID 84807282) is 4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol.
What is the SMILES notation for 4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol?
The canonical SMILES for 4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol is CNCC(O)c1c(Br)ccc(O)c1F.
What is the InChIKey of 4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol?
The InChIKey is DGNXUPROWUFUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-12-4-7(14)8-5(10)2-3-6(13)9(8)11/h2-3,7,12-14H,4H2,1H3.
What are the key properties of 4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol?
4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol has a molecular weight of 264.09 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 84807282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).