2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide

C14H20Br2N2O2 — CID 107739637

IUPAC2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1c(Br)cc(CCN)cc1Br
InChIInChI=1S/C14H20Br2N2O2/c1-3-9(2)18-13(19)8-20-14-11(15)6-10(4-5-17)7-12(14)16/h6-7,9H,3-5,8,17H2,1-2H3,(H,18,19)
InChIKeyDXDGOMMHVXXTNJ-UHFFFAOYSA-N
MW408.13 g/mol
LogP3.01
Rot. Bonds7

About 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide

2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide (PubChem CID 107739637) has the molecular formula C14H20Br2N2O2 and a molecular weight of 408.13 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide
PubChem CID107739637
Molecular FormulaC14H20Br2N2O2
Molecular Weight408.13 g/mol
Exact Mass405.99
IUPAC Name2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1c(Br)cc(CCN)cc1Br
InChIInChI=1S/C14H20Br2N2O2/c1-3-9(2)18-13(19)8-20-14-11(15)6-10(4-5-17)7-12(14)16/h6-7,9H,3-5,8,17H2,1-2H3,(H,18,19)
InChIKeyDXDGOMMHVXXTNJ-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.13
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide
CID 107739401
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide
CID 107739480
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide
CID 107738905
ethyl 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetate
CID 107739477
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide
CID 107739613
2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide
CID 60906076
2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine
CID 107739581
methyl 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 54931340
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-butylacetamide
CID 107741383
N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide
CID 43276661

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide (CID 107739637) is 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1c(Br)cc(CCN)cc1Br.
What is the InChIKey of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide?
The InChIKey is DXDGOMMHVXXTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2/c1-3-9(2)18-13(19)8-20-14-11(15)6-10(4-5-17)7-12(14)16/h6-7,9H,3-5,8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide?
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide has a molecular weight of 408.13 g/mol, XLogP of 3.01, 7 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]-N-butan-2-ylacetamide is sourced from PubChem (CID 107739637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).