2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide

C13H19BrN2O3 — CID 106236290

IUPAC2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide
SMILESCOc1ccc(C(C)NCCOCC(N)=O)cc1Br
InChIInChI=1S/C13H19BrN2O3/c1-9(16-5-6-19-8-13(15)17)10-3-4-12(18-2)11(14)7-10/h3-4,7,9,16H,5-6,8H2,1-2H3,(H2,15,17)
InChIKeyQPVCEHDPVUPWFX-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.61
Rot. Bonds8

About 2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide

2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide (PubChem CID 106236290) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide
PubChem CID106236290
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide
SMILESCOc1ccc(C(C)NCCOCC(N)=O)cc1Br
InChIInChI=1S/C13H19BrN2O3/c1-9(16-5-6-19-8-13(15)17)10-3-4-12(18-2)11(14)7-10/h3-4,7,9,16H,5-6,8H2,1-2H3,(H2,15,17)
InChIKeyQPVCEHDPVUPWFX-UHFFFAOYSA-N
XLogP1.61
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.61
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

1-(3-bromo-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894034
2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide
CID 106235133
5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide
CID 103529781
4-[1-(3-bromo-4-methoxyphenyl)ethylamino]butan-2-ol
CID 64912156
1-(3-bromo-4-methoxyphenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine
CID 107094299
1-(3-bromo-4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63826770
2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235235
2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide
CID 106235231
2-[2-[1-(2-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106235715
ethyl 4-[1-(3-bromo-4-methoxyphenyl)ethylamino]butanoate
CID 60697010
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide (CID 106236290) is 2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide is COc1ccc(C(C)NCCOCC(N)=O)cc1Br.
What is the InChIKey of 2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide?
The InChIKey is QPVCEHDPVUPWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-9(16-5-6-19-8-13(15)17)10-3-4-12(18-2)11(14)7-10/h3-4,7,9,16H,5-6,8H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide?
2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide has a molecular weight of 331.21 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide is sourced from PubChem (CID 106236290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).