3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one

C10H11BrFNO2 — CID 84810800

IUPAC3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one
SMILESCc1cc(Br)c(O)c(C(=O)CCN)c1F
InChIInChI=1S/C10H11BrFNO2/c1-5-4-6(11)10(15)8(9(5)12)7(14)2-3-13/h4,15H,2-3,13H2,1H3
InChIKeyQNJZKSCLRUSKDA-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.13
Rot. Bonds3

About 3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one

3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one (PubChem CID 84810800) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.10 g/mol. Its IUPAC name is 3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one
PubChem CID84810800
Molecular FormulaC10H11BrFNO2
Molecular Weight276.10 g/mol
Exact Mass275.00
IUPAC Name3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one
SMILESCc1cc(Br)c(O)c(C(=O)CCN)c1F
InChIInChI=1S/C10H11BrFNO2/c1-5-4-6(11)10(15)8(9(5)12)7(14)2-3-13/h4,15H,2-3,13H2,1H3
InChIKeyQNJZKSCLRUSKDA-UHFFFAOYSA-N
XLogP2.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one
CID 117471471
3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one
CID 117432655
3-amino-1-(2-bromo-4,6-dimethylphenyl)propan-1-one
CID 84805177
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
3-amino-1-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propan-1-one
CID 117464810
3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one
CID 117432660
3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one
CID 117398348
3-amino-1-(6-bromo-5-hydroxy-1,3-benzodioxol-4-yl)propan-1-one
CID 117464671
3-amino-1-(3-bromo-4-hydroxy-2,5,6-trimethylphenyl)propan-1-one
CID 115113444
3-amino-1-(4-hydroxy-2,3,6-trimethylphenyl)propan-1-one
CID 115113441
3-amino-1-(5-bromo-2,3,4-trifluorophenyl)propan-1-one
CID 117452875
3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one
CID 84774234

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one (CID 84810800) is 3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one is Cc1cc(Br)c(O)c(C(=O)CCN)c1F.
What is the InChIKey of 3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one?
The InChIKey is QNJZKSCLRUSKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-5-4-6(11)10(15)8(9(5)12)7(14)2-3-13/h4,15H,2-3,13H2,1H3.
What are the key properties of 3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one?
3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one has a molecular weight of 276.10 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one is sourced from PubChem (CID 84810800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).