2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide

C13H19BrN2O3 — CID 43622339

IUPAC2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide
SMILESCCNCc1cc(Br)c(OC(C)C(N)=O)c(OC)c1
InChIInChI=1S/C13H19BrN2O3/c1-4-16-7-9-5-10(14)12(11(6-9)18-3)19-8(2)13(15)17/h5-6,8,16H,4,7H2,1-3H3,(H2,15,17)
InChIKeyOEQMNWRWIPCCGD-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.82
Rot. Bonds7

About 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide

2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide (PubChem CID 43622339) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide.

Molecular Properties

Compound Name2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide
PubChem CID43622339
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide
SMILESCCNCc1cc(Br)c(OC(C)C(N)=O)c(OC)c1
InChIInChI=1S/C13H19BrN2O3/c1-4-16-7-9-5-10(14)12(11(6-9)18-3)19-8(2)13(15)17/h5-6,8,16H,4,7H2,1-3H3,(H2,15,17)
InChIKeyOEQMNWRWIPCCGD-UHFFFAOYSA-N
XLogP1.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide
CID 43622338
N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine
CID 43622358
2-[2-bromo-6-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]propanoic acid
CID 63057169
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79891642
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N-butylpropanamide
CID 43622242
3-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 107742264
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide
CID 43622324
N-[[3-bromo-5-methoxy-4-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65365362
N-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63055810
(2R)-1-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996876
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-butylpropanamide
CID 43622626

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide?
The IUPAC name of 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide (CID 43622339) is 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide.
What is the SMILES notation for 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide?
The canonical SMILES for 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide is CCNCc1cc(Br)c(OC(C)C(N)=O)c(OC)c1.
What is the InChIKey of 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide?
The InChIKey is OEQMNWRWIPCCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-4-16-7-9-5-10(14)12(11(6-9)18-3)19-8(2)13(15)17/h5-6,8,16H,4,7H2,1-3H3,(H2,15,17).
What are the key properties of 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide?
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide has a molecular weight of 331.21 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide is sourced from PubChem (CID 43622339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).