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

C14H14BrClN2 — CID 115554624

IUPAC4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine
SMILESCc1ccc(Br)cc1Nc1cc(Cl)c(N)cc1C
InChIInChI=1S/C14H14BrClN2/c1-8-3-4-10(15)6-13(8)18-14-7-11(16)12(17)5-9(14)2/h3-7,18H,17H2,1-2H3
InChIKeySPGVAMNZLFCTCE-UHFFFAOYSA-N
MW325.64 g/mol
LogP5.05
Rot. Bonds2

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

4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine (PubChem CID 115554624) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine
PubChem CID115554624
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine
SMILESCc1ccc(Br)cc1Nc1cc(Cl)c(N)cc1C
InChIInChI=1S/C14H14BrClN2/c1-8-3-4-10(15)6-13(8)18-14-7-11(16)12(17)5-9(14)2/h3-7,18H,17H2,1-2H3
InChIKeySPGVAMNZLFCTCE-UHFFFAOYSA-N
XLogP5.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.64
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-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

2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554524
2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126652
4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115555150
1-N-(5-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 43805872
4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
CID 163370554
4-bromo-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067533
2-N-(5-bromo-2-methylphenyl)-4,5-difluorobenzene-1,2-diamine
CID 112751793
N-(4-amino-5-chloro-2-methylphenyl)-4-bromo-2-methylbenzamide
CID 104667361
4-bromo-1-N-(5-bromo-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 66111692
2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554521
4-N-(3-bromo-4-iodophenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 114261885
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine (CID 115554624) is 4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine is Cc1ccc(Br)cc1Nc1cc(Cl)c(N)cc1C.
What is the InChIKey of 4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine?
The InChIKey is SPGVAMNZLFCTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-8-3-4-10(15)6-13(8)18-14-7-11(16)12(17)5-9(14)2/h3-7,18H,17H2,1-2H3.
What are the key properties of 4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine?
4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine has a molecular weight of 325.64 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 115554624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).