3-(5-bromo-2-fluorophenyl)-5-methylaniline

C13H11BrFN — CID 107579592

IUPAC3-(5-bromo-2-fluorophenyl)-5-methylaniline
SMILESCc1cc(N)cc(-c2cc(Br)ccc2F)c1
InChIInChI=1S/C13H11BrFN/c1-8-4-9(6-11(16)5-8)12-7-10(14)2-3-13(12)15/h2-7H,16H2,1H3
InChIKeyINOBDFLVSFQKRJ-UHFFFAOYSA-N
MW280.14 g/mol
LogP4.15
Rot. Bonds1

About 3-(5-bromo-2-fluorophenyl)-5-methylaniline

3-(5-bromo-2-fluorophenyl)-5-methylaniline (PubChem CID 107579592) has the molecular formula C13H11BrFN and a molecular weight of 280.14 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-5-methylaniline.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-5-methylaniline
PubChem CID107579592
Molecular FormulaC13H11BrFN
Molecular Weight280.14 g/mol
Exact Mass279.01
IUPAC Name3-(5-bromo-2-fluorophenyl)-5-methylaniline
SMILESCc1cc(N)cc(-c2cc(Br)ccc2F)c1
InChIInChI=1S/C13H11BrFN/c1-8-4-9(6-11(16)5-8)12-7-10(14)2-3-13(12)15/h2-7H,16H2,1H3
InChIKeyINOBDFLVSFQKRJ-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 54.15
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

3-(2,4-difluoro-5-methylphenyl)-5-methylaniline
CID 107579819
3-methyl-5-(3,4,5-trifluorophenyl)aniline
CID 107579493
4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine
CID 84604363
4-(5-bromo-2-fluorophenyl)-N-methylaniline
CID 116962519
3-(3,5-dimethylphenyl)-4-fluorobenzonitrile
CID 82115047
5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66198471
6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 79742709
4-(5-bromo-2-fluorophenyl)-3-chloroaniline
CID 107615868
[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine
CID 79743323
4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831868
2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3366666
3-[1-(3-bromo-4-fluorophenyl)tetrazol-5-yl]-5-methylaniline
CID 104781330

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-5-methylaniline?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-5-methylaniline (CID 107579592) is 3-(5-bromo-2-fluorophenyl)-5-methylaniline.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-5-methylaniline?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-5-methylaniline is Cc1cc(N)cc(-c2cc(Br)ccc2F)c1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-5-methylaniline?
The InChIKey is INOBDFLVSFQKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN/c1-8-4-9(6-11(16)5-8)12-7-10(14)2-3-13(12)15/h2-7H,16H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-5-methylaniline?
3-(5-bromo-2-fluorophenyl)-5-methylaniline has a molecular weight of 280.14 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-5-methylaniline is sourced from PubChem (CID 107579592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).