2-(4-amino-2-bromo-6-methylphenoxy)acetic acid

C9H10BrNO3 — CID 130156250

IUPAC2-(4-amino-2-bromo-6-methylphenoxy)acetic acid
SMILESCc1cc(N)cc(Br)c1OCC(=O)O
InChIInChI=1S/C9H10BrNO3/c1-5-2-6(11)3-7(10)9(5)14-4-8(12)13/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyJSBARVGAJOAOBR-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.80
Rot. Bonds3

About 2-(4-amino-2-bromo-6-methylphenoxy)acetic acid

2-(4-amino-2-bromo-6-methylphenoxy)acetic acid (PubChem CID 130156250) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-(4-amino-2-bromo-6-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-amino-2-bromo-6-methylphenoxy)acetic acid
PubChem CID130156250
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name2-(4-amino-2-bromo-6-methylphenoxy)acetic acid
SMILESCc1cc(N)cc(Br)c1OCC(=O)O
InChIInChI=1S/C9H10BrNO3/c1-5-2-6(11)3-7(10)9(5)14-4-8(12)13/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyJSBARVGAJOAOBR-UHFFFAOYSA-N
XLogP1.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
3-bromo-5-methyl-4-phenylmethoxyaniline
CID 142435992
ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate
CID 5305638
2-[4-(4-aminophenoxy)-3,5-dibromophenoxy]acetic acid
CID 68839222
2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid
CID 172907938
N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 100828344
2-(2,4-dibromo-6-methylphenoxy)acetate
CID 6921474
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 100828331
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 100828348
2-(4-cyano-2,6-dimethylphenoxy)acetic acid
CID 65455986
2-(2,6-dibromo-4-cyanophenoxy)acetic acid
CID 18317846
2-(4-amino-2,6-dibromophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 43169638

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromo-6-methylphenoxy)acetic acid?
The IUPAC name of 2-(4-amino-2-bromo-6-methylphenoxy)acetic acid (CID 130156250) is 2-(4-amino-2-bromo-6-methylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-amino-2-bromo-6-methylphenoxy)acetic acid?
The canonical SMILES for 2-(4-amino-2-bromo-6-methylphenoxy)acetic acid is Cc1cc(N)cc(Br)c1OCC(=O)O.
What is the InChIKey of 2-(4-amino-2-bromo-6-methylphenoxy)acetic acid?
The InChIKey is JSBARVGAJOAOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-5-2-6(11)3-7(10)9(5)14-4-8(12)13/h2-3H,4,11H2,1H3,(H,12,13).
What are the key properties of 2-(4-amino-2-bromo-6-methylphenoxy)acetic acid?
2-(4-amino-2-bromo-6-methylphenoxy)acetic acid has a molecular weight of 260.09 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-bromo-6-methylphenoxy)acetic acid is sourced from PubChem (CID 130156250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).