2-N-(2,4-dibromophenyl)propane-1,2-diamine

C9H12Br2N2 — CID 103388120

IUPAC2-N-(2,4-dibromophenyl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc(Br)cc1Br
InChIInChI=1S/C9H12Br2N2/c1-6(5-12)13-9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3
InChIKeyQUFBRYJAHCHLCK-UHFFFAOYSA-N
MW308.02 g/mol
LogP2.97
Rot. Bonds3

About 2-N-(2,4-dibromophenyl)propane-1,2-diamine

2-N-(2,4-dibromophenyl)propane-1,2-diamine (PubChem CID 103388120) has the molecular formula C9H12Br2N2 and a molecular weight of 308.02 g/mol. Its IUPAC name is 2-N-(2,4-dibromophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-dibromophenyl)propane-1,2-diamine
PubChem CID103388120
Molecular FormulaC9H12Br2N2
Molecular Weight308.02 g/mol
Exact Mass305.94
IUPAC Name2-N-(2,4-dibromophenyl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc(Br)cc1Br
InChIInChI=1S/C9H12Br2N2/c1-6(5-12)13-9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3
InChIKeyQUFBRYJAHCHLCK-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.02
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2,4-dibromophenyl)butane-2,3-diamine
CID 126982948
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine
CID 103390813
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003304
5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 103388874
2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine
CID 107591558
2,4-dibromo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780861
2,4-dibromo-N-(2-methylbutyl)aniline
CID 43683023
2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
CID 103388462
2-N-(2,4-dichlorophenyl)propane-1,2-diamine
CID 103387065
2,4-dibromo-N-[1-(4-tert-butylphenyl)ethyl]aniline
CID 63427633

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dibromophenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2,4-dibromophenyl)propane-1,2-diamine (CID 103388120) is 2-N-(2,4-dibromophenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-dibromophenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2,4-dibromophenyl)propane-1,2-diamine is CC(CN)Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-N-(2,4-dibromophenyl)propane-1,2-diamine?
The InChIKey is QUFBRYJAHCHLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2/c1-6(5-12)13-9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3.
What are the key properties of 2-N-(2,4-dibromophenyl)propane-1,2-diamine?
2-N-(2,4-dibromophenyl)propane-1,2-diamine has a molecular weight of 308.02 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dibromophenyl)propane-1,2-diamine is sourced from PubChem (CID 103388120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).