4-(2-bromophenyl)-2-methylaniline

C13H12BrN — CID 115503558

IUPAC4-(2-bromophenyl)-2-methylaniline
SMILESCc1cc(-c2ccccc2Br)ccc1N
InChIInChI=1S/C13H12BrN/c1-9-8-10(6-7-13(9)15)11-4-2-3-5-12(11)14/h2-8H,15H2,1H3
InChIKeyVCOLOGIBYRTTRL-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.01
Rot. Bonds1

About 4-(2-bromophenyl)-2-methylaniline

4-(2-bromophenyl)-2-methylaniline (PubChem CID 115503558) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-methylaniline.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-methylaniline
PubChem CID115503558
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name4-(2-bromophenyl)-2-methylaniline
SMILESCc1cc(-c2ccccc2Br)ccc1N
InChIInChI=1S/C13H12BrN/c1-9-8-10(6-7-13(9)15)11-4-2-3-5-12(11)14/h2-8H,15H2,1H3
InChIKeyVCOLOGIBYRTTRL-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-naphthalen-1-ylaniline
CID 54912725
5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene
CID 54136106
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
1-bromo-2-(4-methylphenyl)benzene;ethane
CID 144848259
2-(3,4-dimethylphenyl)aniline;hydrochloride
CID 2758548
2-methyl-4-naphthalen-2-ylaniline
CID 54912511
4-(4-amino-3-methylphenyl)benzene-1,3-diamine
CID 22061960
2-methyl-4-(4-methylphenyl)aniline
CID 23005184
4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde
CID 165129640
4-(2-bromophenyl)-3-methylaniline
CID 115503554
3-(2-bromophenyl)-4-methylaniline
CID 115503563

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-methylaniline?
The IUPAC name of 4-(2-bromophenyl)-2-methylaniline (CID 115503558) is 4-(2-bromophenyl)-2-methylaniline.
What is the SMILES notation for 4-(2-bromophenyl)-2-methylaniline?
The canonical SMILES for 4-(2-bromophenyl)-2-methylaniline is Cc1cc(-c2ccccc2Br)ccc1N.
What is the InChIKey of 4-(2-bromophenyl)-2-methylaniline?
The InChIKey is VCOLOGIBYRTTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN/c1-9-8-10(6-7-13(9)15)11-4-2-3-5-12(11)14/h2-8H,15H2,1H3.
What are the key properties of 4-(2-bromophenyl)-2-methylaniline?
4-(2-bromophenyl)-2-methylaniline has a molecular weight of 262.15 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-methylaniline is sourced from PubChem (CID 115503558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).