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

C10H12BrNO2 — CID 84709311

IUPAC2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone
SMILESCc1cc(O)c(Br)c(C)c1C(=O)CN
InChIInChI=1S/C10H12BrNO2/c1-5-3-7(13)10(11)6(2)9(5)8(14)4-12/h3,13H,4,12H2,1-2H3
InChIKeyPJWRIBODVLROGJ-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.91
Rot. Bonds2

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

2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone (PubChem CID 84709311) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone
PubChem CID84709311
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone
SMILESCc1cc(O)c(Br)c(C)c1C(=O)CN
InChIInChI=1S/C10H12BrNO2/c1-5-3-7(13)10(11)6(2)9(5)8(14)4-12/h3,13H,4,12H2,1-2H3
InChIKeyPJWRIBODVLROGJ-UHFFFAOYSA-N
XLogP1.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone
CID 84801504
2-amino-1-(2-chloro-3,4-dihydroxy-6-methylphenyl)ethanone
CID 117307262
3-amino-1-(4-hydroxy-2,3,6-trimethylphenyl)propan-1-one
CID 115113441
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-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
CID 84806317
ethyl 2-(3-bromo-4-hydroxy-2,6-dimethylphenyl)-2-hydroxyacetate
CID 117487979
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
2-amino-3-(3-bromo-4-hydroxy-2,6-dimethylphenyl)propanoic acid
CID 117464878
2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
CID 117298533
2-amino-2-(3-bromo-4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 84713750
2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone
CID 83843485

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone (CID 84709311) is 2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone is Cc1cc(O)c(Br)c(C)c1C(=O)CN.
What is the InChIKey of 2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone?
The InChIKey is PJWRIBODVLROGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-5-3-7(13)10(11)6(2)9(5)8(14)4-12/h3,13H,4,12H2,1-2H3.
What are the key properties of 2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone?
2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone has a molecular weight of 258.12 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 84709311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).