2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol

C11H15BrFNO — CID 83904397

IUPAC2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol
SMILESCC(C)C(CN)c1cc(F)cc(Br)c1O
InChIInChI=1S/C11H15BrFNO/c1-6(2)9(5-14)8-3-7(13)4-10(12)11(8)15/h3-4,6,9,15H,5,14H2,1-2H3
InChIKeyCAXGBZWMUGTGEV-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.99
Rot. Bonds3

About 2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol

2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol (PubChem CID 83904397) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol.

Molecular Properties

Compound Name2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol
PubChem CID83904397
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol
SMILESCC(C)C(CN)c1cc(F)cc(Br)c1O
InChIInChI=1S/C11H15BrFNO/c1-6(2)9(5-14)8-3-7(13)4-10(12)11(8)15/h3-4,6,9,15H,5,14H2,1-2H3
InChIKeyCAXGBZWMUGTGEV-UHFFFAOYSA-N
XLogP2.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-amino-3-methylbutan-2-yl)-6-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-bromo-6-[(1S)-1,2-diaminoethyl]-4-fluorophenol
CID 130699524
2-bromo-6-[(1S)-1,2-diaminoethyl]-4-fluorophenol;hydrochloride
CID 171257019
2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol
CID 84698226
2-(1-amino-3-methylbutan-2-yl)-6-fluoro-4-methylphenol
CID 83885476
2-bromo-6-[(1R)-1,3-diaminopropyl]-4-fluorophenol;hydrochloride
CID 171257029
2-[(1R)-1-amino-2-hydroxyethyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253657
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253683
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171257013
4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84807304
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 82078103
2-bromo-4-fluoro-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171298115

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol?
The IUPAC name of 2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol (CID 83904397) is 2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol.
What is the SMILES notation for 2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol?
The canonical SMILES for 2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol is CC(C)C(CN)c1cc(F)cc(Br)c1O.
What is the InChIKey of 2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol?
The InChIKey is CAXGBZWMUGTGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-6(2)9(5-14)8-3-7(13)4-10(12)11(8)15/h3-4,6,9,15H,5,14H2,1-2H3.
What are the key properties of 2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol?
2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol has a molecular weight of 276.15 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol is sourced from PubChem (CID 83904397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).