2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide

C14H21BrN2O3 — CID 2240591

IUPAC2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1cc(OCC)c(OCC(N)=O)cc1Br
InChIInChI=1S/C14H21BrN2O3/c1-3-5-17-8-10-6-12(19-4-2)13(7-11(10)15)20-9-14(16)18/h6-7,17H,3-5,8-9H2,1-2H3,(H2,16,18)
InChIKeyFICQYVYNUFPHAU-UHFFFAOYSA-N
MW345.24 g/mol
LogP2.21
Rot. Bonds9

About 2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide

2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide (PubChem CID 2240591) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide
PubChem CID2240591
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1cc(OCC)c(OCC(N)=O)cc1Br
InChIInChI=1S/C14H21BrN2O3/c1-3-5-17-8-10-6-12(19-4-2)13(7-11(10)15)20-9-14(16)18/h6-7,17H,3-5,8-9H2,1-2H3,(H2,16,18)
InChIKeyFICQYVYNUFPHAU-UHFFFAOYSA-N
XLogP2.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.21
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-[5-bromo-4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide
CID 2991093
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290905
2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 66535713
2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
CID 66533831
2-[4-bromo-2-methyl-6-(propylaminomethyl)phenoxy]acetamide
CID 112620264
2-[5-bromo-2-methoxy-4-(propylaminomethyl)phenoxy]-N-(2-phenylethyl)acetamide
CID 7027057
N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]-3-methylbutan-1-amine
CID 66533927
N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 2960172
4-[[(2-bromo-4,5-diethoxyphenyl)methylamino]methyl]benzoic acid
CID 66533958
2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053783
2-[5-bromo-4-[[2-(diethylamino)ethylamino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66538401

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide?
The IUPAC name of 2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide (CID 2240591) is 2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for 2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide?
The canonical SMILES for 2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide is CCCNCc1cc(OCC)c(OCC(N)=O)cc1Br.
What is the InChIKey of 2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide?
The InChIKey is FICQYVYNUFPHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-3-5-17-8-10-6-12(19-4-2)13(7-11(10)15)20-9-14(16)18/h6-7,17H,3-5,8-9H2,1-2H3,(H2,16,18).
What are the key properties of 2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide?
2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide has a molecular weight of 345.24 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 2240591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).