1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine

C12H17Br2NO — CID 107946286

IUPAC1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO/c1-3-15-12(8-16-4-2)10-6-5-9(13)7-11(10)14/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeyQTEUMGJABUMCCL-UHFFFAOYSA-N
MW351.08 g/mol
LogP3.90
Rot. Bonds6

About 1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine

1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine (PubChem CID 107946286) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
PubChem CID107946286
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC Name1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO/c1-3-15-12(8-16-4-2)10-6-5-9(13)7-11(10)14/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeyQTEUMGJABUMCCL-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine
CID 105007898
1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008140
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999
1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
CID 107945403
1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107945979
1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207295
1-(2-bromofuran-3-yl)-2-ethoxy-N-ethylethanamine
CID 106858103
[1-(4-bromo-2-methylphenyl)-2-ethoxyethyl]hydrazine
CID 105321151
1-(2-bromo-4-methoxyphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207435
1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 103523415
1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 107946545
1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008200

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine (CID 107946286) is 1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is QTEUMGJABUMCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO/c1-3-15-12(8-16-4-2)10-6-5-9(13)7-11(10)14/h5-7,12,15H,3-4,8H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine?
1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 351.08 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 107946286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).