4-bromo-2-fluoro-N-(2-methylpentyl)aniline

C12H17BrFN — CID 43102033

IUPAC4-bromo-2-fluoro-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFN/c1-3-4-9(2)8-15-12-6-5-10(13)7-11(12)14/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyOLUMVIOHNGEYGQ-UHFFFAOYSA-N
MW274.18 g/mol
LogP4.44
Rot. Bonds5

About 4-bromo-2-fluoro-N-(2-methylpentyl)aniline

4-bromo-2-fluoro-N-(2-methylpentyl)aniline (PubChem CID 43102033) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-methylpentyl)aniline
PubChem CID43102033
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name4-bromo-2-fluoro-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFN/c1-3-4-9(2)8-15-12-6-5-10(13)7-11(12)14/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyOLUMVIOHNGEYGQ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2,4-difluoro-N-(2-methylpentyl)aniline
CID 102852837
4-bromo-2-fluoro-N-heptan-4-ylaniline
CID 28517550
5-chloro-2-fluoro-N-(2-methylpentyl)aniline
CID 43438253
2,4-dibromo-N-(2-methylbutyl)aniline
CID 43683023
3-(4-bromo-2-fluoroanilino)propane-1,2-diol
CID 76891707
1-(4-bromo-2-fluoroanilino)-3-propan-2-yloxypropan-2-ol
CID 60897126
4-bromo-N-(3,3-diethoxypropyl)-2-fluoroaniline
CID 81093558
4-bromo-2-fluoro-N-nonan-2-ylaniline
CID 63419505
5-fluoro-2-(2-methylpentylamino)benzonitrile
CID 82014031
2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline
CID 43729973
1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60897310
1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130588833

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-methylpentyl)aniline?
The IUPAC name of 4-bromo-2-fluoro-N-(2-methylpentyl)aniline (CID 43102033) is 4-bromo-2-fluoro-N-(2-methylpentyl)aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-methylpentyl)aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-methylpentyl)aniline is CCCC(C)CNc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-methylpentyl)aniline?
The InChIKey is OLUMVIOHNGEYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-3-4-9(2)8-15-12-6-5-10(13)7-11(12)14/h5-7,9,15H,3-4,8H2,1-2H3.
What are the key properties of 4-bromo-2-fluoro-N-(2-methylpentyl)aniline?
4-bromo-2-fluoro-N-(2-methylpentyl)aniline has a molecular weight of 274.18 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-methylpentyl)aniline is sourced from PubChem (CID 43102033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).