2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide

C13H19BrN2O3 — CID 55147795

IUPAC2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(Br)cccc1CNCCOC
InChIInChI=1S/C13H19BrN2O3/c1-15-12(17)9-19-13-10(4-3-5-11(13)14)8-16-6-7-18-2/h3-5,16H,6-9H2,1-2H3,(H,15,17)
InChIKeyHBOWJGKIPGOZIW-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.31
Rot. Bonds8

About 2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide

2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide (PubChem CID 55147795) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
PubChem CID55147795
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(Br)cccc1CNCCOC
InChIInChI=1S/C13H19BrN2O3/c1-15-12(17)9-19-13-10(4-3-5-11(13)14)8-16-6-7-18-2/h3-5,16H,6-9H2,1-2H3,(H,15,17)
InChIKeyHBOWJGKIPGOZIW-UHFFFAOYSA-N
XLogP1.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886
2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 63060124
2-[2,6-dibromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 107744887
N-[[3-bromo-2-(2-ethoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 55219306
N-[(3-bromo-2-but-2-ynoxyphenyl)methyl]-2-methoxyethanamine
CID 63059055
N-[[3-bromo-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63060490
N-[[3-bromo-2-(4,4,4-trifluorobutoxy)phenyl]methyl]-2-methoxyethanamine
CID 115513226
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 61390112

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide (CID 55147795) is 2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide is CNC(=O)COc1c(Br)cccc1CNCCOC.
What is the InChIKey of 2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide?
The InChIKey is HBOWJGKIPGOZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-15-12(17)9-19-13-10(4-3-5-11(13)14)8-16-6-7-18-2/h3-5,16H,6-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide?
2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide has a molecular weight of 331.21 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 55147795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).