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

C15H25BrN2O2 — CID 43626932

IUPAC2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCCNCc1cc(Br)c(OCCN(C)C)c(OCC)c1
InChIInChI=1S/C15H25BrN2O2/c1-5-17-11-12-9-13(16)15(14(10-12)19-6-2)20-8-7-18(3)4/h9-10,17H,5-8,11H2,1-4H3
InChIKeyGVOOINTZOKKRCP-UHFFFAOYSA-N
MW345.28 g/mol
LogP2.90
Rot. Bonds9

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

2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine (PubChem CID 43626932) has the molecular formula C15H25BrN2O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
PubChem CID43626932
Molecular FormulaC15H25BrN2O2
Molecular Weight345.28 g/mol
Exact Mass344.11
IUPAC Name2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCCNCc1cc(Br)c(OCCN(C)C)c(OCC)c1
InChIInChI=1S/C15H25BrN2O2/c1-5-17-11-12-9-13(16)15(14(10-12)19-6-2)20-8-7-18(3)4/h9-10,17H,5-8,11H2,1-4H3
InChIKeyGVOOINTZOKKRCP-UHFFFAOYSA-N
XLogP2.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 107742092
2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]acetonitrile
CID 60889105
3-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]propane-1,2-diol
CID 82850862
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 17159816
N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]butan-1-amine
CID 2217249
3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide
CID 43626960
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720681
N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine
CID 29226744
N-[[3-bromo-5-ethoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 60889284
[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43622685
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215126

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine (CID 43626932) is 2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine is CCNCc1cc(Br)c(OCCN(C)C)c(OCC)c1.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is GVOOINTZOKKRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2/c1-5-17-11-12-9-13(16)15(14(10-12)19-6-2)20-8-7-18(3)4/h9-10,17H,5-8,11H2,1-4H3.
What are the key properties of 2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine?
2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 345.28 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 43626932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).