2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide

C11H15BrN2O2 — CID 79842993

IUPAC2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c(C)cc(Br)cc1N
InChIInChI=1S/C11H15BrN2O2/c1-6-4-8(12)5-9(13)10(6)16-7(2)11(15)14-3/h4-5,7H,13H2,1-3H3,(H,14,15)
InChIKeySCMHUOXWIQSKPI-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.85
Rot. Bonds3

About 2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide

2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide (PubChem CID 79842993) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide
PubChem CID79842993
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c(C)cc(Br)cc1N
InChIInChI=1S/C11H15BrN2O2/c1-6-4-8(12)5-9(13)10(6)16-7(2)11(15)14-3/h4-5,7H,13H2,1-3H3,(H,14,15)
InChIKeySCMHUOXWIQSKPI-UHFFFAOYSA-N
XLogP1.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.85
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

2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 79842990
methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate
CID 79842569
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide
CID 115962935
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4960970
3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 17233132
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 115961088
2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide
CID 79844395
2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide
CID 43116694
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide
CID 115960904

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide?
The IUPAC name of 2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide (CID 79842993) is 2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide is CNC(=O)C(C)Oc1c(C)cc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide?
The InChIKey is SCMHUOXWIQSKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-6-4-8(12)5-9(13)10(6)16-7(2)11(15)14-3/h4-5,7H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide?
2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide has a molecular weight of 287.16 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 79842993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).