2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide

C10H13BrN2O2 — CID 102946264

IUPAC2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide
SMILESCC(N)c1ccc(Br)cc1OCC(N)=O
InChIInChI=1S/C10H13BrN2O2/c1-6(12)8-3-2-7(11)4-9(8)15-5-10(13)14/h2-4,6H,5,12H2,1H3,(H2,13,14)
InChIKeyROTZYZOVRKBBRW-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.33
Rot. Bonds4

About 2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide

2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide (PubChem CID 102946264) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide
PubChem CID102946264
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide
SMILESCC(N)c1ccc(Br)cc1OCC(N)=O
InChIInChI=1S/C10H13BrN2O2/c1-6(12)8-3-2-7(11)4-9(8)15-5-10(13)14/h2-4,6H,5,12H2,1H3,(H2,13,14)
InChIKeyROTZYZOVRKBBRW-UHFFFAOYSA-N
XLogP1.33
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide
CID 78946963
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide
CID 102946716
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine
CID 102946785
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 102946796
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266
2-[2-(1-aminoethyl)-5-bromophenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 102946345
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide (CID 102946264) is 2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide is CC(N)c1ccc(Br)cc1OCC(N)=O.
What is the InChIKey of 2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide?
The InChIKey is ROTZYZOVRKBBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6(12)8-3-2-7(11)4-9(8)15-5-10(13)14/h2-4,6H,5,12H2,1H3,(H2,13,14).
What are the key properties of 2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide?
2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide has a molecular weight of 273.13 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide is sourced from PubChem (CID 102946264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).