5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline

C13H19BrFN — CID 43555297

IUPAC5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline
SMILESCC(C)CCC(C)Nc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFN/c1-9(2)4-5-10(3)16-13-8-11(14)6-7-12(13)15/h6-10,16H,4-5H2,1-3H3
InChIKeyQWEXHAOWGZHWIL-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.82
Rot. Bonds5

About 5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline

5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline (PubChem CID 43555297) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline
PubChem CID43555297
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline
SMILESCC(C)CCC(C)Nc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFN/c1-9(2)4-5-10(3)16-13-8-11(14)6-7-12(13)15/h6-10,16H,4-5H2,1-3H3
InChIKeyQWEXHAOWGZHWIL-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline?
The IUPAC name of 5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline (CID 43555297) is 5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline is CC(C)CCC(C)Nc1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline?
The InChIKey is QWEXHAOWGZHWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-9(2)4-5-10(3)16-13-8-11(14)6-7-12(13)15/h6-10,16H,4-5H2,1-3H3.
What are the key properties of 5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline?
5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline has a molecular weight of 288.20 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(5-methylhexan-2-yl)aniline is sourced from PubChem (CID 43555297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).