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

C10H12BrNO — CID 84801504

IUPAC2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN)c(Br)c1
InChIInChI=1S/C10H12BrNO/c1-6-3-7(2)10(8(11)4-6)9(13)5-12/h3-4H,5,12H2,1-2H3
InChIKeyZZFIDDGFAHKXFU-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.21
Rot. Bonds2

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

2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone (PubChem CID 84801504) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone
PubChem CID84801504
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN)c(Br)c1
InChIInChI=1S/C10H12BrNO/c1-6-3-7(2)10(8(11)4-6)9(13)5-12/h3-4H,5,12H2,1-2H3
InChIKeyZZFIDDGFAHKXFU-UHFFFAOYSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-bromo-4,6-dimethylphenyl)propan-1-one
CID 84805177
2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone
CID 84709311
2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone
CID 82625822
2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 10082173
2-amino-1-(2,3,5-trimethylphenyl)ethanone
CID 117277600
2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82623539
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
2-amino-1-(2-chloro-3,4-dihydroxy-6-methylphenyl)ethanone
CID 117307262
2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone
CID 131293210
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539
3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one
CID 84805179
2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone (CID 84801504) is 2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN)c(Br)c1.
What is the InChIKey of 2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone?
The InChIKey is ZZFIDDGFAHKXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-6-3-7(2)10(8(11)4-6)9(13)5-12/h3-4H,5,12H2,1-2H3.
What are the key properties of 2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone?
2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone has a molecular weight of 242.12 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone is sourced from PubChem (CID 84801504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).