3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one

C11H14BrNO2 — CID 117432655

IUPAC3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one
SMILESCc1cc(Br)c(C(=O)CCN)c(C)c1O
InChIInChI=1S/C11H14BrNO2/c1-6-5-8(12)10(7(2)11(6)15)9(14)3-4-13/h5,15H,3-4,13H2,1-2H3
InChIKeyDSCQGDZVUJORSB-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.30
Rot. Bonds3

About 3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one

3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one (PubChem CID 117432655) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one
PubChem CID117432655
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one
SMILESCc1cc(Br)c(C(=O)CCN)c(C)c1O
InChIInChI=1S/C11H14BrNO2/c1-6-5-8(12)10(7(2)11(6)15)9(14)3-4-13/h5,15H,3-4,13H2,1-2H3
InChIKeyDSCQGDZVUJORSB-UHFFFAOYSA-N
XLogP2.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one
CID 84810800
3-amino-1-(2-bromo-4,6-dimethylphenyl)propan-1-one
CID 84805177
3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one
CID 117398348
3-amino-1-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propan-1-one
CID 117464810
3-amino-1-(4-hydroxy-2,3,6-trimethylphenyl)propan-1-one
CID 115113441
3-amino-1-(3-bromo-4-hydroxy-2,5,6-trimethylphenyl)propan-1-one
CID 115113444
3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one
CID 117471471
3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
CID 117398513
3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one
CID 117432660
3-amino-1-(2-bromo-6-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117461043
3-amino-1-(5-chloro-2-hydroxy-3,4,6-trimethylphenyl)propan-1-one
CID 115113448
3-amino-1-(2,4,5-trimethylphenyl)propan-1-one
CID 82281454

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one (CID 117432655) is 3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one is Cc1cc(Br)c(C(=O)CCN)c(C)c1O.
What is the InChIKey of 3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one?
The InChIKey is DSCQGDZVUJORSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-6-5-8(12)10(7(2)11(6)15)9(14)3-4-13/h5,15H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one?
3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one has a molecular weight of 272.14 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 117432655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).