2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide

C11H15BrN2O2 — CID 63044978

IUPAC2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
SMILESCNCc1ccc(OCC(=O)NC)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-13-6-8-3-4-10(9(12)5-8)16-7-11(15)14-2/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyJZGCEYOTXXIZAZ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.29
Rot. Bonds5

About 2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide

2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide (PubChem CID 63044978) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
PubChem CID63044978
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
SMILESCNCc1ccc(OCC(=O)NC)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-13-6-8-3-4-10(9(12)5-8)16-7-11(15)14-2/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyJZGCEYOTXXIZAZ-UHFFFAOYSA-N
XLogP1.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide
CID 63046001
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 63045317
1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 63044631
3-[2-bromo-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629204
2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 63045841
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
4-[2-bromo-4-(ethylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891379
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide
CID 55147530
2-[2-bromo-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 5210106

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide (CID 63044978) is 2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide is CNCc1ccc(OCC(=O)NC)c(Br)c1.
What is the InChIKey of 2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide?
The InChIKey is JZGCEYOTXXIZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-13-6-8-3-4-10(9(12)5-8)16-7-11(15)14-2/h3-5,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide?
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide has a molecular weight of 287.16 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 63044978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).