N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine

C12H18Br2N2 — CID 60781144

IUPACN-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCC(NCCN(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C12H18Br2N2/c1-9(15-6-7-16(2)3)11-5-4-10(13)8-12(11)14/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyOUZUEGCISSFWFW-UHFFFAOYSA-N
MW350.10 g/mol
LogP3.42
Rot. Bonds5

About N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 60781144) has the molecular formula C12H18Br2N2 and a molecular weight of 350.10 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID60781144
Molecular FormulaC12H18Br2N2
Molecular Weight350.10 g/mol
Exact Mass347.98
IUPAC NameN-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCC(NCCN(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C12H18Br2N2/c1-9(15-6-7-16(2)3)11-5-4-10(13)8-12(11)14/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyOUZUEGCISSFWFW-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.10
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine 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

N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30111376
N-[1-(2-bromo-4-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 103775462
1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 55193521
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 63454032
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416
N-[1-(2,4-dibromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 63478861
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
2-[1-(2,4-dibromophenyl)ethylamino]acetamide
CID 60781147
1-(2,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391621
1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 114183393
1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60781399

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 60781144) is N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine is CC(NCCN(C)C)c1ccc(Br)cc1Br.
What is the InChIKey of N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is OUZUEGCISSFWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2/c1-9(15-6-7-16(2)3)11-5-4-10(13)8-12(11)14/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 350.10 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 60781144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).