3-bromo-4-fluoro-N-pentan-3-ylaniline

C11H15BrFN — CID 104776153

IUPAC3-bromo-4-fluoro-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H15BrFN/c1-3-8(4-2)14-9-5-6-11(13)10(12)7-9/h5-8,14H,3-4H2,1-2H3
InChIKeyNSFBZYJOIRJVGN-UHFFFAOYSA-N
MW260.15 g/mol
LogP4.19
Rot. Bonds4

About 3-bromo-4-fluoro-N-pentan-3-ylaniline

3-bromo-4-fluoro-N-pentan-3-ylaniline (PubChem CID 104776153) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-pentan-3-ylaniline.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-pentan-3-ylaniline
PubChem CID104776153
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name3-bromo-4-fluoro-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H15BrFN/c1-3-8(4-2)14-9-5-6-11(13)10(12)7-9/h5-8,14H,3-4H2,1-2H3
InChIKeyNSFBZYJOIRJVGN-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-fluoro-N-propylaniline
CID 104776158
2-N-(3-bromo-4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 104776446
2-(3-bromo-4-fluoroanilino)pentanoic acid
CID 104777722
3-bromo-N-[1-(3,5-difluorophenyl)ethyl]-4-fluoroaniline
CID 104775807
3-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 104775686
3-bromo-N-dodecyl-4-fluoroaniline
CID 104777613
N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
4-amino-3-(3-bromo-4-fluoroanilino)-N-propan-2-ylbutanamide
CID 104776364
3-bromo-4-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 104775825
3-bromo-4-fluoro-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 115929850
3-bromo-4-fluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464654
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-pentan-3-ylaniline?
The IUPAC name of 3-bromo-4-fluoro-N-pentan-3-ylaniline (CID 104776153) is 3-bromo-4-fluoro-N-pentan-3-ylaniline.
What is the SMILES notation for 3-bromo-4-fluoro-N-pentan-3-ylaniline?
The canonical SMILES for 3-bromo-4-fluoro-N-pentan-3-ylaniline is CCC(CC)Nc1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-pentan-3-ylaniline?
The InChIKey is NSFBZYJOIRJVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-3-8(4-2)14-9-5-6-11(13)10(12)7-9/h5-8,14H,3-4H2,1-2H3.
What are the key properties of 3-bromo-4-fluoro-N-pentan-3-ylaniline?
3-bromo-4-fluoro-N-pentan-3-ylaniline has a molecular weight of 260.15 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-pentan-3-ylaniline is sourced from PubChem (CID 104776153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).