2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone

C11H14BrNO2 — CID 82625822

IUPAC2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone
SMILESCOc1c(C)c(Br)cc(C)c1C(=O)CN
InChIInChI=1S/C11H14BrNO2/c1-6-4-8(12)7(2)11(15-3)10(6)9(14)5-13/h4H,5,13H2,1-3H3
InChIKeyHNJSWVDJXVHSGD-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.22
Rot. Bonds3

About 2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone

2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone (PubChem CID 82625822) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone
PubChem CID82625822
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone
SMILESCOc1c(C)c(Br)cc(C)c1C(=O)CN
InChIInChI=1S/C11H14BrNO2/c1-6-4-8(12)7(2)11(15-3)10(6)9(14)5-13/h4H,5,13H2,1-3H3
InChIKeyHNJSWVDJXVHSGD-UHFFFAOYSA-N
XLogP2.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone
CID 84801504
2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82623539
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
methyl 5-bromo-2-methoxy-3,6-dimethylbenzoate
CID 50883037
2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone
CID 84709311
2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
CID 117298533
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
1-(3-bromo-2-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004605
2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone
CID 117115546
1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830919
(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone
CID 107979689

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone (CID 82625822) is 2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone is COc1c(C)c(Br)cc(C)c1C(=O)CN.
What is the InChIKey of 2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone?
The InChIKey is HNJSWVDJXVHSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-6-4-8(12)7(2)11(15-3)10(6)9(14)5-13/h4H,5,13H2,1-3H3.
What are the key properties of 2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone?
2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone has a molecular weight of 272.14 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone is sourced from PubChem (CID 82625822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).