3-N-(2,4-dibromophenyl)butane-2,3-diamine

C10H14Br2N2 — CID 126982948

IUPAC3-N-(2,4-dibromophenyl)butane-2,3-diamine
SMILESCC(N)C(C)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H14Br2N2/c1-6(13)7(2)14-10-4-3-8(11)5-9(10)12/h3-7,14H,13H2,1-2H3
InChIKeyFBSBBKJBSSGLSP-UHFFFAOYSA-N
MW322.04 g/mol
LogP3.36
Rot. Bonds3

About 3-N-(2,4-dibromophenyl)butane-2,3-diamine

3-N-(2,4-dibromophenyl)butane-2,3-diamine (PubChem CID 126982948) has the molecular formula C10H14Br2N2 and a molecular weight of 322.04 g/mol. Its IUPAC name is 3-N-(2,4-dibromophenyl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N-(2,4-dibromophenyl)butane-2,3-diamine
PubChem CID126982948
Molecular FormulaC10H14Br2N2
Molecular Weight322.04 g/mol
Exact Mass319.95
IUPAC Name3-N-(2,4-dibromophenyl)butane-2,3-diamine
SMILESCC(N)C(C)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H14Br2N2/c1-6(13)7(2)14-10-4-3-8(11)5-9(10)12/h3-7,14H,13H2,1-2H3
InChIKeyFBSBBKJBSSGLSP-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.04
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2,4-dibromophenyl)propane-1,2-diamine
CID 103388120
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
2,4-dibromo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780861
2,4-dibromo-N-[1-(4-tert-butylphenyl)ethyl]aniline
CID 63427633
1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003304
2,4-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43683136
4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline
CID 43168155
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43683002
2,4-dibromo-N-(2-methylbutyl)aniline
CID 43683023
2-bromo-4-chloro-N-propan-2-ylaniline
CID 58692387
4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dibromophenyl)butane-2,3-diamine?
The IUPAC name of 3-N-(2,4-dibromophenyl)butane-2,3-diamine (CID 126982948) is 3-N-(2,4-dibromophenyl)butane-2,3-diamine.
What is the SMILES notation for 3-N-(2,4-dibromophenyl)butane-2,3-diamine?
The canonical SMILES for 3-N-(2,4-dibromophenyl)butane-2,3-diamine is CC(N)C(C)Nc1ccc(Br)cc1Br.
What is the InChIKey of 3-N-(2,4-dibromophenyl)butane-2,3-diamine?
The InChIKey is FBSBBKJBSSGLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2/c1-6(13)7(2)14-10-4-3-8(11)5-9(10)12/h3-7,14H,13H2,1-2H3.
What are the key properties of 3-N-(2,4-dibromophenyl)butane-2,3-diamine?
3-N-(2,4-dibromophenyl)butane-2,3-diamine has a molecular weight of 322.04 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dibromophenyl)butane-2,3-diamine is sourced from PubChem (CID 126982948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).