2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol

C9H11BrFNO2 — CID 84711161

IUPAC2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1cc(F)c(C(N)CO)cc1Br
InChIInChI=1S/C9H11BrFNO2/c1-14-9-3-7(11)5(2-6(9)10)8(12)4-13/h2-3,8,13H,4,12H2,1H3
InChIKeyNBLYPWZMIWOLOI-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol

2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol (PubChem CID 84711161) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
PubChem CID84711161
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1cc(F)c(C(N)CO)cc1Br
InChIInChI=1S/C9H11BrFNO2/c1-14-9-3-7(11)5(2-6(9)10)8(12)4-13/h2-3,8,13H,4,12H2,1H3
InChIKeyNBLYPWZMIWOLOI-UHFFFAOYSA-N
XLogP1.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 66516031
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 84714748
2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 117330301
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol (CID 84711161) is 2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol is COc1cc(F)c(C(N)CO)cc1Br.
What is the InChIKey of 2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is NBLYPWZMIWOLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-14-9-3-7(11)5(2-6(9)10)8(12)4-13/h2-3,8,13H,4,12H2,1H3.
What are the key properties of 2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol?
2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 264.09 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 84711161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).