2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide

C15H24BrN3O2 — CID 17053825

IUPAC2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide
SMILESCCN(CC)CCNCc1cc(Br)ccc1OCC(N)=O
InChIInChI=1S/C15H24BrN3O2/c1-3-19(4-2)8-7-18-10-12-9-13(16)5-6-14(12)21-11-15(17)20/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3,(H2,17,20)
InChIKeyPAXJXHTVGNCBMJ-UHFFFAOYSA-N
MW358.28 g/mol
LogP1.74
Rot. Bonds10

About 2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide

2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide (PubChem CID 17053825) has the molecular formula C15H24BrN3O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide
PubChem CID17053825
Molecular FormulaC15H24BrN3O2
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC Name2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide
SMILESCCN(CC)CCNCc1cc(Br)ccc1OCC(N)=O
InChIInChI=1S/C15H24BrN3O2/c1-3-19(4-2)8-7-18-10-12-9-13(16)5-6-14(12)21-11-15(17)20/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3,(H2,17,20)
InChIKeyPAXJXHTVGNCBMJ-UHFFFAOYSA-N
XLogP1.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053783
2-[4-bromo-2-[(3-ethoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053775
2-[4-bromo-2-[(4-methylpentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 90484137
2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053771
3-[4-bromo-2-(propylaminomethyl)phenoxy]propanamide
CID 43277541
2-[4-bromo-2-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17053803
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide
CID 63056501
2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide
CID 6472928
2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 78774023
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 43277522
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63056502

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide (CID 17053825) is 2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide is CCN(CC)CCNCc1cc(Br)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide?
The InChIKey is PAXJXHTVGNCBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O2/c1-3-19(4-2)8-7-18-10-12-9-13(16)5-6-14(12)21-11-15(17)20/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3,(H2,17,20).
What are the key properties of 2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide?
2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide has a molecular weight of 358.28 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 17053825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).