2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline

C15H15Br2N — CID 86129337

IUPAC2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline
SMILESCc1ccc(N(C)c2ccc(C)cc2Br)c(Br)c1
InChIInChI=1S/C15H15Br2N/c1-10-4-6-14(12(16)8-10)18(3)15-7-5-11(2)9-13(15)17/h4-9H,1-3H3
InChIKeySOVUSGRALQTPTD-UHFFFAOYSA-N
MW369.10 g/mol
LogP5.60
Rot. Bonds2

About 2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline

2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline (PubChem CID 86129337) has the molecular formula C15H15Br2N and a molecular weight of 369.10 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline
PubChem CID86129337
Molecular FormulaC15H15Br2N
Molecular Weight369.10 g/mol
Exact Mass366.96
IUPAC Name2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline
SMILESCc1ccc(N(C)c2ccc(C)cc2Br)c(Br)c1
InChIInChI=1S/C15H15Br2N/c1-10-4-6-14(12(16)8-10)18(3)15-7-5-11(2)9-13(15)17/h4-9H,1-3H3
InChIKeySOVUSGRALQTPTD-UHFFFAOYSA-N
XLogP5.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.10
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline?
The IUPAC name of 2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline (CID 86129337) is 2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline.
What is the SMILES notation for 2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline?
The canonical SMILES for 2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline is Cc1ccc(N(C)c2ccc(C)cc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline?
The InChIKey is SOVUSGRALQTPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N/c1-10-4-6-14(12(16)8-10)18(3)15-7-5-11(2)9-13(15)17/h4-9H,1-3H3.
What are the key properties of 2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline?
2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline has a molecular weight of 369.10 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-4-methylphenyl)-N,4-dimethylaniline is sourced from PubChem (CID 86129337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).