3-(2-amino-4-bromophenoxy)-N-ethylpropanamide

C11H15BrN2O2 — CID 65430157

IUPAC3-(2-amino-4-bromophenoxy)-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(Br)cc1N
InChIInChI=1S/C11H15BrN2O2/c1-2-14-11(15)5-6-16-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyKHGJTFJFKAFTIA-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.94
Rot. Bonds5

About 3-(2-amino-4-bromophenoxy)-N-ethylpropanamide

3-(2-amino-4-bromophenoxy)-N-ethylpropanamide (PubChem CID 65430157) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-(2-amino-4-bromophenoxy)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-4-bromophenoxy)-N-ethylpropanamide
PubChem CID65430157
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-(2-amino-4-bromophenoxy)-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(Br)cc1N
InChIInChI=1S/C11H15BrN2O2/c1-2-14-11(15)5-6-16-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyKHGJTFJFKAFTIA-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-bromophenoxy)-N-ethylacetamide
CID 65430348
5-bromo-2-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62326683
3-(2-amino-5-methylphenoxy)-N-ethylpropanamide
CID 62325813
3-(3-amino-2-methylphenoxy)-N-ethylpropanamide
CID 62326727
2-[3-(ethylamino)-3-oxopropoxy]-5-sulfamoylbenzoic acid
CID 82913282
3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide
CID 55061966
5-bromo-2-hexoxyaniline
CID 28994958
[3-(ethylamino)-3-oxopropyl] 2-(2-aminophenoxy)acetate
CID 55060432
5-bromo-2-(3-ethylsulfonylpropoxy)aniline
CID 65431079
N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide
CID 63213428
butyl 2-(2-amino-4-bromophenoxy)acetate
CID 65429791
3-[2-bromo-4-[(propan-2-ylamino)methyl]phenoxy]-N-ethylpropanamide
CID 63044681

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-bromophenoxy)-N-ethylpropanamide?
The IUPAC name of 3-(2-amino-4-bromophenoxy)-N-ethylpropanamide (CID 65430157) is 3-(2-amino-4-bromophenoxy)-N-ethylpropanamide.
What is the SMILES notation for 3-(2-amino-4-bromophenoxy)-N-ethylpropanamide?
The canonical SMILES for 3-(2-amino-4-bromophenoxy)-N-ethylpropanamide is CCNC(=O)CCOc1ccc(Br)cc1N.
What is the InChIKey of 3-(2-amino-4-bromophenoxy)-N-ethylpropanamide?
The InChIKey is KHGJTFJFKAFTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-14-11(15)5-6-16-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15).
What are the key properties of 3-(2-amino-4-bromophenoxy)-N-ethylpropanamide?
3-(2-amino-4-bromophenoxy)-N-ethylpropanamide has a molecular weight of 287.16 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-bromophenoxy)-N-ethylpropanamide is sourced from PubChem (CID 65430157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).