2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine

C13H11BrCl2N2 — CID 82761644

IUPAC2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine
SMILESCc1ccc(Br)c(Nc2cc(Cl)c(Cl)cc2N)c1
InChIInChI=1S/C13H11BrCl2N2/c1-7-2-3-8(14)12(4-7)18-13-6-10(16)9(15)5-11(13)17/h2-6,18H,17H2,1H3
InChIKeyPLWWVRUOTNEUHI-UHFFFAOYSA-N
MW346.06 g/mol
LogP5.39
Rot. Bonds2

About 2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine

2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine (PubChem CID 82761644) has the molecular formula C13H11BrCl2N2 and a molecular weight of 346.06 g/mol. Its IUPAC name is 2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine
PubChem CID82761644
Molecular FormulaC13H11BrCl2N2
Molecular Weight346.06 g/mol
Exact Mass343.95
IUPAC Name2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine
SMILESCc1ccc(Br)c(Nc2cc(Cl)c(Cl)cc2N)c1
InChIInChI=1S/C13H11BrCl2N2/c1-7-2-3-8(14)12(4-7)18-13-6-10(16)9(15)5-11(13)17/h2-6,18H,17H2,1H3
InChIKeyPLWWVRUOTNEUHI-UHFFFAOYSA-N
XLogP5.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.06
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-bromo-5-methylphenyl)benzene-1,2-diamine
CID 82761133
1-N-(4-bromo-3-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 107618565
1-N-(2-bromo-5-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107634444
4-amino-3-(2-bromo-5-methylanilino)benzoic acid
CID 82796286
1-N-(4-bromo-2-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 43349543
1-N-(2-bromo-5-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 82761474
1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
CID 43349512
3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112648174
N-(2-bromo-5-methylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762492
(2-bromo-5-methylphenyl)hydrazine
CID 12891837
5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
CID 82744624
2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzoic acid
CID 104724463

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine?
The IUPAC name of 2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine (CID 82761644) is 2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine is Cc1ccc(Br)c(Nc2cc(Cl)c(Cl)cc2N)c1.
What is the InChIKey of 2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine?
The InChIKey is PLWWVRUOTNEUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2/c1-7-2-3-8(14)12(4-7)18-13-6-10(16)9(15)5-11(13)17/h2-6,18H,17H2,1H3.
What are the key properties of 2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine?
2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine has a molecular weight of 346.06 g/mol, XLogP of 5.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-5-methylphenyl)-4,5-dichlorobenzene-1,2-diamine is sourced from PubChem (CID 82761644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).