N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline

C14H13Br2N — CID 118113905

IUPACN,3-dibromo-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(Br)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C14H13Br2N/c1-10-3-6-12(7-4-10)17(16)13-8-5-11(2)14(15)9-13/h3-9H,1-2H3
InChIKeyCMVWAXADMJIZQM-UHFFFAOYSA-N
MW355.07 g/mol
LogP5.51
Rot. Bonds2

About N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline

N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 118113905) has the molecular formula C14H13Br2N and a molecular weight of 355.07 g/mol. Its IUPAC name is N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN,3-dibromo-4-methyl-N-(4-methylphenyl)aniline
PubChem CID118113905
Molecular FormulaC14H13Br2N
Molecular Weight355.07 g/mol
Exact Mass352.94
IUPAC NameN,3-dibromo-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(Br)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C14H13Br2N/c1-10-3-6-12(7-4-10)17(16)13-8-5-11(2)14(15)9-13/h3-9H,1-2H3
InChIKeyCMVWAXADMJIZQM-UHFFFAOYSA-N
XLogP5.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.07
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1,4-dimethylbenzene;ethane
CID 142028009
2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 122673088
N-(3-bromo-4-methylphenyl)acetohydrazide
CID 82293551
N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
CID 82093740
3-(3-bromo-N,4-dimethylanilino)propan-1-ol
CID 82120880
4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
CID 112705888
2-bromo-4-(N,2,4-trimethylanilino)benzonitrile
CID 107276246
2-bromo-4-fluoro-1-methylbenzene;ethane;4-methylaniline
CID 142152830
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
3,5-dibromo-N,N-bis(4-methylphenyl)aniline
CID 58544695
1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride
CID 140975606
1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805

Frequently Asked Questions

What is the IUPAC name of N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline (CID 118113905) is N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(Br)c2ccc(C)c(Br)c2)cc1.
What is the InChIKey of N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is CMVWAXADMJIZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N/c1-10-3-6-12(7-4-10)17(16)13-8-5-11(2)14(15)9-13/h3-9H,1-2H3.
What are the key properties of N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline?
N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 355.07 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 118113905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).