N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine

C12H17Br3N2 — CID 28992090

IUPACN',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H17Br3N2/c1-3-17(4-2)6-5-16-12-10(14)7-9(13)8-11(12)15/h7-8,16H,3-6H2,1-2H3
InChIKeyODCYZLCYFBPSQS-UHFFFAOYSA-N
MW428.99 g/mol
LogP4.73
Rot. Bonds6

About N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine

N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine (PubChem CID 28992090) has the molecular formula C12H17Br3N2 and a molecular weight of 428.99 g/mol. Its IUPAC name is N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine
PubChem CID28992090
Molecular FormulaC12H17Br3N2
Molecular Weight428.99 g/mol
Exact Mass425.89
IUPAC NameN',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H17Br3N2/c1-3-17(4-2)6-5-16-12-10(14)7-9(13)8-11(12)15/h7-8,16H,3-6H2,1-2H3
InChIKeyODCYZLCYFBPSQS-UHFFFAOYSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.99
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-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',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine
CID 114525073
N-[(3,5-dibromophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 107972005
N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28574811
4-bromo-1-N-[2-(diethylamino)ethyl]benzene-1,2-diamine
CID 28902518
N-[(3-bromo-5-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 107938733
4-bromo-1-N-[2-(diethylamino)ethyl]-5-fluorobenzene-1,2-diamine
CID 66111855
2,4,6-tribromo-N-(4-methylsulfanylbutyl)aniline
CID 103087337
2,4,6-tribromo-N-(3,3,3-trifluoropropyl)aniline
CID 64554200
N-[6-(4-bromophenyl)pyridazin-3-yl]-N',N'-diethylethane-1,2-diamine
CID 29135751
2-bromo-6-[2-(diethylamino)ethylamino]benzonitrile
CID 114880409
N'-[(4-bromophenyl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62556567
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine (CID 28992090) is N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine is CCN(CC)CCNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine?
The InChIKey is ODCYZLCYFBPSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br3N2/c1-3-17(4-2)6-5-16-12-10(14)7-9(13)8-11(12)15/h7-8,16H,3-6H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine?
N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine has a molecular weight of 428.99 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine is sourced from PubChem (CID 28992090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).