2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol

C9H11BrFNO2 — CID 84711152

IUPAC2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
SMILESCc1c(F)cc(Br)c(O)c1C(N)CO
InChIInChI=1S/C9H11BrFNO2/c1-4-6(11)2-5(10)9(14)8(4)7(12)3-13/h2,7,13-14H,3,12H2,1H3
InChIKeyRMBLURFATKRXAG-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.59
Rot. Bonds2

About 2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol

2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol (PubChem CID 84711152) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
PubChem CID84711152
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
SMILESCc1c(F)cc(Br)c(O)c1C(N)CO
InChIInChI=1S/C9H11BrFNO2/c1-4-6(11)2-5(10)9(14)8(4)7(12)3-13/h2,7,13-14H,3,12H2,1H3
InChIKeyRMBLURFATKRXAG-UHFFFAOYSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol
CID 82623841
ethyl 2-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)-2-hydroxyacetate
CID 117492075
2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol
CID 84785836
2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84697319
2-[(1S)-1-aminobutyl]-6-bromo-3,4-difluorophenol;hydrochloride
CID 171254514
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
CID 84803050
6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol
CID 117375119
(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
CID 66514003
2-amino-3-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 117471347
2-[(1R)-1-amino-3-methylbut-3-enyl]-6-bromo-3,4-difluorophenol;hydrochloride
CID 171257870
2-[(1R)-1-amino-2-hydroxyethyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253657

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol (CID 84711152) is 2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol is Cc1c(F)cc(Br)c(O)c1C(N)CO.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol?
The InChIKey is RMBLURFATKRXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-4-6(11)2-5(10)9(14)8(4)7(12)3-13/h2,7,13-14H,3,12H2,1H3.
What are the key properties of 2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol?
2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol has a molecular weight of 264.09 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol is sourced from PubChem (CID 84711152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).