2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide

C14H20Br2N2O3 — CID 107739572

IUPAC2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1c(Br)cc(CCN)cc1Br
InChIInChI=1S/C14H20Br2N2O3/c1-9(14(19)18-5-6-20-2)21-13-11(15)7-10(3-4-17)8-12(13)16/h7-9H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyAUQASAGTLCUSLV-UHFFFAOYSA-N
MW424.13 g/mol
LogP2.24
Rot. Bonds8

About 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide

2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide (PubChem CID 107739572) has the molecular formula C14H20Br2N2O3 and a molecular weight of 424.13 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide
PubChem CID107739572
Molecular FormulaC14H20Br2N2O3
Molecular Weight424.13 g/mol
Exact Mass421.98
IUPAC Name2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1c(Br)cc(CCN)cc1Br
InChIInChI=1S/C14H20Br2N2O3/c1-9(14(19)18-5-6-20-2)21-13-11(15)7-10(3-4-17)8-12(13)16/h7-9H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyAUQASAGTLCUSLV-UHFFFAOYSA-N
XLogP2.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.13
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide 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-propan-2-ylpropanamide
CID 107739613
2-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60906103
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107738922
2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60904827
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485623
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-butylpropanamide
CID 63052000
2-[4-(aminomethyl)-2-bromophenoxy]-N-(3-methoxypropyl)propanamide
CID 63046345
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61390814
2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N-butylpropanamide
CID 43622242
2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine
CID 107739581
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-pentan-3-ylpropanamide
CID 107741417

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide (CID 107739572) is 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1c(Br)cc(CCN)cc1Br.
What is the InChIKey of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide?
The InChIKey is AUQASAGTLCUSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O3/c1-9(14(19)18-5-6-20-2)21-13-11(15)7-10(3-4-17)8-12(13)16/h7-9H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide?
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide has a molecular weight of 424.13 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 107739572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).