3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one

C11H14BrNO — CID 84805179

IUPAC3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one
SMILESCc1cc(C)c(Br)c(C(=O)CCN)c1
InChIInChI=1S/C11H14BrNO/c1-7-5-8(2)11(12)9(6-7)10(14)3-4-13/h5-6H,3-4,13H2,1-2H3
InChIKeyRJXHLGJYJFRTGX-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.60
Rot. Bonds3

About 3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one

3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one (PubChem CID 84805179) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one
PubChem CID84805179
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one
SMILESCc1cc(C)c(Br)c(C(=O)CCN)c1
InChIInChI=1S/C11H14BrNO/c1-7-5-8(2)11(12)9(6-7)10(14)3-4-13/h5-6H,3-4,13H2,1-2H3
InChIKeyRJXHLGJYJFRTGX-UHFFFAOYSA-N
XLogP2.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-bromo-5-methoxy-3-methylphenyl)propan-1-one
CID 84809538
3-amino-1-(2-bromo-4,6-dimethylphenyl)propan-1-one
CID 84805177
3-amino-1-(2,4,5-trimethylphenyl)propan-1-one
CID 82281454
3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one
CID 117398348
4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
CID 82341665
3-amino-1-(2-bromo-6-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117461043
3-amino-1-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propan-1-one
CID 117464810
2-amino-1-(2,3,5-trimethylphenyl)ethanone
CID 117277600
3-amino-1-(2-hydroxy-4-methylphenyl)propan-1-one
CID 82600154
3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one
CID 117432660
3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one
CID 84774234
1-(2-bromo-3-methylphenyl)butan-1-one
CID 58572622

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one (CID 84805179) is 3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one is Cc1cc(C)c(Br)c(C(=O)CCN)c1.
What is the InChIKey of 3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one?
The InChIKey is RJXHLGJYJFRTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7-5-8(2)11(12)9(6-7)10(14)3-4-13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one?
3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one has a molecular weight of 256.14 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 84805179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).