4-(5-bromo-2-fluorophenyl)-N-methylaniline

C13H11BrFN — CID 116962519

IUPAC4-(5-bromo-2-fluorophenyl)-N-methylaniline
SMILESCNc1ccc(-c2cc(Br)ccc2F)cc1
InChIInChI=1S/C13H11BrFN/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8,16H,1H3
InChIKeyIRCITYBMWOOIHP-UHFFFAOYSA-N
MW280.14 g/mol
LogP4.30
Rot. Bonds2

About 4-(5-bromo-2-fluorophenyl)-N-methylaniline

4-(5-bromo-2-fluorophenyl)-N-methylaniline (PubChem CID 116962519) has the molecular formula C13H11BrFN and a molecular weight of 280.14 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-N-methylaniline
PubChem CID116962519
Molecular FormulaC13H11BrFN
Molecular Weight280.14 g/mol
Exact Mass279.01
IUPAC Name4-(5-bromo-2-fluorophenyl)-N-methylaniline
SMILESCNc1ccc(-c2cc(Br)ccc2F)cc1
InChIInChI=1S/C13H11BrFN/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8,16H,1H3
InChIKeyIRCITYBMWOOIHP-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine
CID 116977034
N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 79742526
4-fluoro-3-(3-fluorophenyl)-N-methylaniline
CID 138653401
[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine
CID 79743323
3-(5-bromo-2-fluorophenyl)-5-methylaniline
CID 107579592
5-(5-bromo-2-fluorophenyl)-2-chlorophenol
CID 83130970
4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine
CID 84604363
5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid
CID 79743488
6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 79743592
1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine
CID 79743234
3,4-difluoro-N-methylaniline;ethane
CID 143398651
4-(4-chlorophenyl)-N-methylaniline;hydrochloride
CID 137319755

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-N-methylaniline?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-N-methylaniline (CID 116962519) is 4-(5-bromo-2-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-N-methylaniline?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-N-methylaniline is CNc1ccc(-c2cc(Br)ccc2F)cc1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-N-methylaniline?
The InChIKey is IRCITYBMWOOIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8,16H,1H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-N-methylaniline?
4-(5-bromo-2-fluorophenyl)-N-methylaniline has a molecular weight of 280.14 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 116962519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).