2-bromo-N-(4-methylphenyl)aniline

C13H12BrN — CID 123296167

IUPAC2-bromo-N-(4-methylphenyl)aniline
SMILESCc1ccc(Nc2ccccc2Br)cc1
InChIInChI=1S/C13H12BrN/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h2-9,15H,1H3
InChIKeyDYXFSADNGZRSGV-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.50
Rot. Bonds2

About 2-bromo-N-(4-methylphenyl)aniline

2-bromo-N-(4-methylphenyl)aniline (PubChem CID 123296167) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-bromo-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(4-methylphenyl)aniline
PubChem CID123296167
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name2-bromo-N-(4-methylphenyl)aniline
SMILESCc1ccc(Nc2ccccc2Br)cc1
InChIInChI=1S/C13H12BrN/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h2-9,15H,1H3
InChIKeyDYXFSADNGZRSGV-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methylphenyl)aniline?
The IUPAC name of 2-bromo-N-(4-methylphenyl)aniline (CID 123296167) is 2-bromo-N-(4-methylphenyl)aniline.
What is the SMILES notation for 2-bromo-N-(4-methylphenyl)aniline?
The canonical SMILES for 2-bromo-N-(4-methylphenyl)aniline is Cc1ccc(Nc2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-methylphenyl)aniline?
The InChIKey is DYXFSADNGZRSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h2-9,15H,1H3.
What are the key properties of 2-bromo-N-(4-methylphenyl)aniline?
2-bromo-N-(4-methylphenyl)aniline has a molecular weight of 262.15 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methylphenyl)aniline is sourced from PubChem (CID 123296167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).