5-bromo-N-ethyl-2-fluoro-N-methylaniline

C9H11BrFN — CID 115259359

IUPAC5-bromo-N-ethyl-2-fluoro-N-methylaniline
SMILESCCN(C)c1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFN/c1-3-12(2)9-6-7(10)4-5-8(9)11/h4-6H,3H2,1-2H3
InChIKeyHZTFCPPKPAHUJJ-UHFFFAOYSA-N
MW232.10 g/mol
LogP3.04
Rot. Bonds2

About 5-bromo-N-ethyl-2-fluoro-N-methylaniline

5-bromo-N-ethyl-2-fluoro-N-methylaniline (PubChem CID 115259359) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-fluoro-N-methylaniline
PubChem CID115259359
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name5-bromo-N-ethyl-2-fluoro-N-methylaniline
SMILESCCN(C)c1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFN/c1-3-12(2)9-6-7(10)4-5-8(9)11/h4-6H,3H2,1-2H3
InChIKeyHZTFCPPKPAHUJJ-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylaniline
CID 115214767
5-chloro-N-ethyl-2-fluoro-N-methylaniline
CID 115259333
[1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243408
5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
CID 115209597
1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242863
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
N-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115191064
5-bromo-2-fluoroaniline;5-bromo-2-fluoro-N-methyl-N-trimethylsilylaniline;N,N-diethylethanamine
CID 167631090
N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide
CID 115157831
2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132613
5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281562
2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine
CID 115259643

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-fluoro-N-methylaniline?
The IUPAC name of 5-bromo-N-ethyl-2-fluoro-N-methylaniline (CID 115259359) is 5-bromo-N-ethyl-2-fluoro-N-methylaniline.
What is the SMILES notation for 5-bromo-N-ethyl-2-fluoro-N-methylaniline?
The canonical SMILES for 5-bromo-N-ethyl-2-fluoro-N-methylaniline is CCN(C)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-ethyl-2-fluoro-N-methylaniline?
The InChIKey is HZTFCPPKPAHUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-3-12(2)9-6-7(10)4-5-8(9)11/h4-6H,3H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-2-fluoro-N-methylaniline?
5-bromo-N-ethyl-2-fluoro-N-methylaniline has a molecular weight of 232.10 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-fluoro-N-methylaniline is sourced from PubChem (CID 115259359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).