2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide

C12H17BrN2O2 — CID 79843874

IUPAC2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1c(C)cc(Br)cc1N
InChIInChI=1S/C12H17BrN2O2/c1-4-15(3)11(16)7-17-12-8(2)5-9(13)6-10(12)14/h5-6H,4,7,14H2,1-3H3
InChIKeyDQVDOYXFGQGXAB-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.20
Rot. Bonds4

About 2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide

2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide (PubChem CID 79843874) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide
PubChem CID79843874
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1c(C)cc(Br)cc1N
InChIInChI=1S/C12H17BrN2O2/c1-4-15(3)11(16)7-17-12-8(2)5-9(13)6-10(12)14/h5-6H,4,7,14H2,1-3H3
InChIKeyDQVDOYXFGQGXAB-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethyl-4-sulfamoylphenoxy)-N-ethyl-N-methylacetamide
CID 82913111
ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 875019
2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 79844124
methyl 3-(2-amino-4-bromo-6-methylphenoxy)propanoate
CID 79844736
5-bromo-2-(methoxymethoxy)-3-methylaniline
CID 79844363
2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-ethyl-N-methylacetamide
CID 65216731
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide
CID 115962991
2-(2-amino-4-bromo-6-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 79844920
5-bromo-2-(3-ethoxypropoxy)-3-methylaniline
CID 79844337
3-(2-amino-4-bromo-6-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79844343
2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide
CID 115962824
2-(2-amino-4,6-dimethylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 62057785

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide (CID 79843874) is 2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1c(C)cc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide?
The InChIKey is DQVDOYXFGQGXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-4-15(3)11(16)7-17-12-8(2)5-9(13)6-10(12)14/h5-6H,4,7,14H2,1-3H3.
What are the key properties of 2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide?
2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide has a molecular weight of 301.18 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 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-ethyl-N-methylacetamide is sourced from PubChem (CID 79843874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).