6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol

C10H12BrF2NO — CID 84811709

IUPAC6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol
SMILESCC(C)(N)Cc1cc(F)c(F)c(Br)c1O
InChIInChI=1S/C10H12BrF2NO/c1-10(2,14)4-5-3-6(12)8(13)7(11)9(5)15/h3,15H,4,14H2,1-2H3
InChIKeyILXNYBUQYGPWND-UHFFFAOYSA-N
MW280.11 g/mol
LogP2.71
Rot. Bonds2

About 6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol

6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol (PubChem CID 84811709) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is 6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol.

Molecular Properties

Compound Name6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol
PubChem CID84811709
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol
SMILESCC(C)(N)Cc1cc(F)c(F)c(Br)c1O
InChIInChI=1S/C10H12BrF2NO/c1-10(2,14)4-5-3-6(12)8(13)7(11)9(5)15/h3,15H,4,14H2,1-2H3
InChIKeyILXNYBUQYGPWND-UHFFFAOYSA-N
XLogP2.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84796627
2-(2-amino-2-methylpropyl)-6-bromo-4-fluorophenol
CID 84807013
4-(2-amino-2-methylpropyl)-3-bromo-5-fluorobenzene-1,2-diol
CID 117445509
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
CID 117287292
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050
2-(3-bromo-4,5-difluoro-2-hydroxyphenyl)acetaldehyde
CID 83900436
1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 84807348
7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117486511
2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117353759
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine
CID 117452947
5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
CID 117335588

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol?
The IUPAC name of 6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol (CID 84811709) is 6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol.
What is the SMILES notation for 6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol?
The canonical SMILES for 6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol is CC(C)(N)Cc1cc(F)c(F)c(Br)c1O.
What is the InChIKey of 6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol?
The InChIKey is ILXNYBUQYGPWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c1-10(2,14)4-5-3-6(12)8(13)7(11)9(5)15/h3,15H,4,14H2,1-2H3.
What are the key properties of 6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol?
6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol has a molecular weight of 280.11 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol is sourced from PubChem (CID 84811709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).