4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine

C14H15BrN2 — CID 117027243

IUPAC4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C14H15BrN2/c1-10-3-4-13(9-14(10)15)17-12-7-5-11(16-2)6-8-12/h3-9,16-17H,1-2H3
InChIKeyMZPGARPMWXNHNF-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.54
Rot. Bonds3

About 4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine

4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine (PubChem CID 117027243) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine
PubChem CID117027243
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C14H15BrN2/c1-10-3-4-13(9-14(10)15)17-12-7-5-11(16-2)6-8-12/h3-9,16-17H,1-2H3
InChIKeyMZPGARPMWXNHNF-UHFFFAOYSA-N
XLogP4.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

Analyze 4-N-(3-bromo-4-methylphenyl)-1-N-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

N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 63334960
4-N-(3-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80829480
N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine
CID 106573027
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63406446
2-N-(3-bromo-4-methylphenyl)benzene-1,2-diamine
CID 63333214
methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
CID 143782226
ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 91075726
6-bromo-N-(3-bromo-4-methylphenyl)pyridin-2-amine
CID 63961760
4-N-(3-bromo-4-methylphenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565052
2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814615
5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine
CID 66318405
2-(3-bromo-4-methylanilino)benzonitrile
CID 63512186

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine (CID 117027243) is 4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine is CNc1ccc(Nc2ccc(C)c(Br)c2)cc1.
What is the InChIKey of 4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine?
The InChIKey is MZPGARPMWXNHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-3-4-13(9-14(10)15)17-12-7-5-11(16-2)6-8-12/h3-9,16-17H,1-2H3.
What are the key properties of 4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine?
4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine has a molecular weight of 291.19 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 117027243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).