2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol

C9H11BrFNO — CID 117372735

IUPAC2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol
SMILESCC(C)(N)c1cc(Br)cc(F)c1O
InChIInChI=1S/C9H11BrFNO/c1-9(2,12)6-3-5(10)4-7(11)8(6)13/h3-4,13H,12H2,1-2H3
InChIKeyLFXUYBCLZPNGTQ-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.49
Rot. Bonds1

About 2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol

2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol (PubChem CID 117372735) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol
PubChem CID117372735
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol
SMILESCC(C)(N)c1cc(Br)cc(F)c1O
InChIInChI=1S/C9H11BrFNO/c1-9(2,12)6-3-5(10)4-7(11)8(6)13/h3-4,13H,12H2,1-2H3
InChIKeyLFXUYBCLZPNGTQ-UHFFFAOYSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol
CID 84777103
2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol
CID 84803507
2-(3-bromo-2,4,5-trifluorophenyl)propan-2-amine
CID 117111939
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171256747
2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol
CID 84807026
2-[(1S)-1-aminoethyl]-4-bromo-6-fluorophenol
CID 130713722
6-(2-aminopropan-2-yl)-2-bromo-3,4-dimethylphenol
CID 117398567
1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839454
6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279619
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171256743
6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
CID 84796633
3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117445523

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol?
The IUPAC name of 2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol (CID 117372735) is 2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol?
The canonical SMILES for 2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol is CC(C)(N)c1cc(Br)cc(F)c1O.
What is the InChIKey of 2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol?
The InChIKey is LFXUYBCLZPNGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-9(2,12)6-3-5(10)4-7(11)8(6)13/h3-4,13H,12H2,1-2H3.
What are the key properties of 2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol?
2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol has a molecular weight of 248.09 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol is sourced from PubChem (CID 117372735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).