2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide

C15H23BrN2O2 — CID 61390012

IUPAC2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide
SMILESCCNCc1cccc(Br)c1OCC(=O)N(CC)CC
InChIInChI=1S/C15H23BrN2O2/c1-4-17-10-12-8-7-9-13(16)15(12)20-11-14(19)18(5-2)6-3/h7-9,17H,4-6,10-11H2,1-3H3
InChIKeyWPNMXFPKZUOZQM-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.81
Rot. Bonds8

About 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide

2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide (PubChem CID 61390012) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide
PubChem CID61390012
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide
SMILESCCNCc1cccc(Br)c1OCC(=O)N(CC)CC
InChIInChI=1S/C15H23BrN2O2/c1-4-17-10-12-8-7-9-13(16)15(12)20-11-14(19)18(5-2)6-3/h7-9,17H,4-6,10-11H2,1-3H3
InChIKeyWPNMXFPKZUOZQM-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 61390112
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61390059
methyl 3-[2-bromo-6-(ethylaminomethyl)phenoxy]propanoate
CID 63949097
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 61390121
N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 61390095
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 62699145
N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499927
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetamide
CID 43278938
2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115952627
N,N-diethyl-2-[4-(ethylaminomethyl)phenoxy]acetamide
CID 43276989

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide (CID 61390012) is 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide is CCNCc1cccc(Br)c1OCC(=O)N(CC)CC.
What is the InChIKey of 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide?
The InChIKey is WPNMXFPKZUOZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-17-10-12-8-7-9-13(16)15(12)20-11-14(19)18(5-2)6-3/h7-9,17H,4-6,10-11H2,1-3H3.
What are the key properties of 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide?
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide has a molecular weight of 343.27 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 61390012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).