2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide

C15H23BrN2O3 — CID 43622338

IUPAC2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide
SMILESCCNCc1cc(Br)c(OC(C)C(=O)N(C)C)c(OC)c1
InChIInChI=1S/C15H23BrN2O3/c1-6-17-9-11-7-12(16)14(13(8-11)20-5)21-10(2)15(19)18(3)4/h7-8,10,17H,6,9H2,1-5H3
InChIKeyJHQTZVLPPAHLDM-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.42
Rot. Bonds7

About 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide

2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide (PubChem CID 43622338) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide
PubChem CID43622338
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide
SMILESCCNCc1cc(Br)c(OC(C)C(=O)N(C)C)c(OC)c1
InChIInChI=1S/C15H23BrN2O3/c1-6-17-9-11-7-12(16)14(13(8-11)20-5)21-10(2)15(19)18(3)4/h7-8,10,17H,6,9H2,1-5H3
InChIKeyJHQTZVLPPAHLDM-UHFFFAOYSA-N
XLogP2.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide
CID 43622339
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-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43622919
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide
CID 43622324
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
N-[[3-bromo-5-methoxy-4-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65365362
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 43278795
(2R)-1-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996876
N-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63055810
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 60890045
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]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide (CID 43622338) is 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide is CCNCc1cc(Br)c(OC(C)C(=O)N(C)C)c(OC)c1.
What is the InChIKey of 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide?
The InChIKey is JHQTZVLPPAHLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-6-17-9-11-7-12(16)14(13(8-11)20-5)21-10(2)15(19)18(3)4/h7-8,10,17H,6,9H2,1-5H3.
What are the key properties of 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide?
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide has a molecular weight of 359.26 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 43622338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).