2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide

C14H20Br2N2O2 — CID 107739825

IUPAC2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1c(Br)cc(CC(C)N)cc1Br
InChIInChI=1S/C14H20Br2N2O2/c1-4-18(3)13(19)8-20-14-11(15)6-10(5-9(2)17)7-12(14)16/h6-7,9H,4-5,8,17H2,1-3H3
InChIKeyOCGWCMZXKLZXSK-UHFFFAOYSA-N
MW408.13 g/mol
LogP2.96
Rot. Bonds6

About 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide

2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide (PubChem CID 107739825) has the molecular formula C14H20Br2N2O2 and a molecular weight of 408.13 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide
PubChem CID107739825
Molecular FormulaC14H20Br2N2O2
Molecular Weight408.13 g/mol
Exact Mass405.99
IUPAC Name2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1c(Br)cc(CC(C)N)cc1Br
InChIInChI=1S/C14H20Br2N2O2/c1-4-18(3)13(19)8-20-14-11(15)6-10(5-9(2)17)7-12(14)16/h6-7,9H,4-5,8,17H2,1-3H3
InChIKeyOCGWCMZXKLZXSK-UHFFFAOYSA-N
XLogP2.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide 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-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 60906449
2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide
CID 107693152
methyl 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 60906356
2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide
CID 107739745
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide
CID 107739892
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-2-methylpropanamide
CID 107739856
1-[3,5-dibromo-4-(2-ethoxyethoxy)phenyl]propan-2-amine
CID 107739733
2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
CID 55148691
3-bromo-5-ethoxy-4-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43627087
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63050484
3-bromo-4-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43622520
2-[2-(2-aminopropyl)-6-bromophenoxy]-N,N-dimethylacetamide
CID 61392479

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide (CID 107739825) is 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1c(Br)cc(CC(C)N)cc1Br.
What is the InChIKey of 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide?
The InChIKey is OCGWCMZXKLZXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2/c1-4-18(3)13(19)8-20-14-11(15)6-10(5-9(2)17)7-12(14)16/h6-7,9H,4-5,8,17H2,1-3H3.
What are the key properties of 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide?
2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide has a molecular weight of 408.13 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 107739825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).