2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide

C10H12Br2N2O2 — CID 107739480

IUPAC2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide
SMILESNCCc1cc(Br)c(OCC(N)=O)c(Br)c1
InChIInChI=1S/C10H12Br2N2O2/c11-7-3-6(1-2-13)4-8(12)10(7)16-5-9(14)15/h3-4H,1-2,5,13H2,(H2,14,15)
InChIKeyFHZANQZQSNXRCL-UHFFFAOYSA-N
MW352.03 g/mol
LogP1.58
Rot. Bonds5

About 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide

2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide (PubChem CID 107739480) has the molecular formula C10H12Br2N2O2 and a molecular weight of 352.03 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide
PubChem CID107739480
Molecular FormulaC10H12Br2N2O2
Molecular Weight352.03 g/mol
Exact Mass349.93
IUPAC Name2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide
SMILESNCCc1cc(Br)c(OCC(N)=O)c(Br)c1
InChIInChI=1S/C10H12Br2N2O2/c11-7-3-6(1-2-13)4-8(12)10(7)16-5-9(14)15/h3-4H,1-2,5,13H2,(H2,14,15)
InChIKeyFHZANQZQSNXRCL-UHFFFAOYSA-N
XLogP1.58
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetate
CID 107739477
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide
CID 107739401
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide
CID 107739637
2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096616
2-(2,4-dibromo-6-chlorophenoxy)acetamide
CID 91674426
methyl 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 54931340
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
CID 107739438
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide
CID 107739613
2-[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 54931058
2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide
CID 60906076
2-[3,5-dibromo-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 107739417
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide (CID 107739480) is 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide is NCCc1cc(Br)c(OCC(N)=O)c(Br)c1.
What is the InChIKey of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide?
The InChIKey is FHZANQZQSNXRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O2/c11-7-3-6(1-2-13)4-8(12)10(7)16-5-9(14)15/h3-4H,1-2,5,13H2,(H2,14,15).
What are the key properties of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide?
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide has a molecular weight of 352.03 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide is sourced from PubChem (CID 107739480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).