2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol

C9H11BrFNO — CID 84803507

IUPAC2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol
SMILESCC(C)(N)c1cc(F)c(Br)cc1O
InChIInChI=1S/C9H11BrFNO/c1-9(2,12)5-3-7(11)6(10)4-8(5)13/h3-4,13H,12H2,1-2H3
InChIKeyKPTARZRXTKFMDW-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.49
Rot. Bonds1

About 2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol

2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol (PubChem CID 84803507) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol
PubChem CID84803507
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol
SMILESCC(C)(N)c1cc(F)c(Br)cc1O
InChIInChI=1S/C9H11BrFNO/c1-9(2,12)5-3-7(11)6(10)4-8(5)13/h3-4,13H,12H2,1-2H3
InChIKeyKPTARZRXTKFMDW-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'}

Analyze 2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol
CID 117372735
2-(3-bromo-2,4,5-trifluorophenyl)propan-2-amine
CID 117111939
4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol
CID 84777103
2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride
CID 155821579
(3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol
CID 71008979
1-bromo-5-tert-butyl-2,4-difluorobenzene
CID 153434868
2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 165344141
2-bromo-4-tert-butyl-5-fluorophenol
CID 69407920
4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117445518
2-(2-aminopropan-2-yl)-4-chloro-5-methylphenol
CID 117288945
1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
CID 53402856
4-amino-4-(5-bromo-2,4-difluorophenyl)pentan-2-ol
CID 77248047

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol?
The IUPAC name of 2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol (CID 84803507) is 2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol?
The canonical SMILES for 2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol is CC(C)(N)c1cc(F)c(Br)cc1O.
What is the InChIKey of 2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol?
The InChIKey is KPTARZRXTKFMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-9(2,12)5-3-7(11)6(10)4-8(5)13/h3-4,13H,12H2,1-2H3.
What are the key properties of 2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol?
2-(2-aminopropan-2-yl)-5-bromo-4-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)-5-bromo-4-fluorophenol is sourced from PubChem (CID 84803507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).