2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine

C13H20Br2N2O — CID 107742092

IUPAC2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCCNCc1cc(Br)c(OCCN(C)C)c(Br)c1
InChIInChI=1S/C13H20Br2N2O/c1-4-16-9-10-7-11(14)13(12(15)8-10)18-6-5-17(2)3/h7-8,16H,4-6,9H2,1-3H3
InChIKeyBFDIVODGDNTZPH-UHFFFAOYSA-N
MW380.12 g/mol
LogP3.26
Rot. Bonds7

About 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine

2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine (PubChem CID 107742092) has the molecular formula C13H20Br2N2O and a molecular weight of 380.12 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
PubChem CID107742092
Molecular FormulaC13H20Br2N2O
Molecular Weight380.12 g/mol
Exact Mass377.99
IUPAC Name2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCCNCc1cc(Br)c(OCCN(C)C)c(Br)c1
InChIInChI=1S/C13H20Br2N2O/c1-4-16-9-10-7-11(14)13(12(15)8-10)18-6-5-17(2)3/h7-8,16H,4-6,9H2,1-3H3
InChIKeyBFDIVODGDNTZPH-UHFFFAOYSA-N
XLogP3.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 43626932
N-[[3,5-dibromo-4-(4-methoxybutoxy)phenyl]methyl]ethanamine
CID 107742112
N-[(3,5-dibromo-4-heptoxyphenyl)methyl]ethanamine
CID 107742175
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 17159816
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61390059
N-[(3,5-dibromo-4-pent-4-ynoxyphenyl)methyl]ethanamine
CID 107742221
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
N-[[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]methyl]ethanamine
CID 107742111
N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 107742064
ethyl 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetate
CID 107742173
[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43622685
N-[[3,5-dibromo-4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 107742220

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine (CID 107742092) is 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine is CCNCc1cc(Br)c(OCCN(C)C)c(Br)c1.
What is the InChIKey of 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is BFDIVODGDNTZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2O/c1-4-16-9-10-7-11(14)13(12(15)8-10)18-6-5-17(2)3/h7-8,16H,4-6,9H2,1-3H3.
What are the key properties of 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 380.12 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 107742092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).