2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline

C12H17BrFN — CID 107632869

IUPAC2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline
SMILESCCC(C)C(C)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H17BrFN/c1-4-8(2)9(3)15-12-7-10(14)5-6-11(12)13/h5-9,15H,4H2,1-3H3
InChIKeyCBYRLAGWGDGHFZ-UHFFFAOYSA-N
MW274.18 g/mol
LogP4.43
Rot. Bonds4

About 2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline

2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline (PubChem CID 107632869) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline
PubChem CID107632869
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline
SMILESCCC(C)C(C)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H17BrFN/c1-4-8(2)9(3)15-12-7-10(14)5-6-11(12)13/h5-9,15H,4H2,1-3H3
InChIKeyCBYRLAGWGDGHFZ-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline
CID 107632561
2-bromo-5-fluoro-N-octan-2-ylaniline
CID 107632967
2-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-fluoroaniline
CID 107633267
2-bromo-N-(5,5-dimethylhexan-2-yl)-5-fluoroaniline
CID 114279957
2,4,5-trifluoro-N-(3-methylpentan-2-yl)aniline
CID 62814836
2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline
CID 107633198
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline
CID 107632832
2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline
CID 107635577
2-bromo-5-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 107632948
4-(2-bromo-5-fluoroanilino)pentanoic acid
CID 107633429
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline?
The IUPAC name of 2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline (CID 107632869) is 2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline.
What is the SMILES notation for 2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline?
The canonical SMILES for 2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline is CCC(C)C(C)Nc1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline?
The InChIKey is CBYRLAGWGDGHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-4-8(2)9(3)15-12-7-10(14)5-6-11(12)13/h5-9,15H,4H2,1-3H3.
What are the key properties of 2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline?
2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline has a molecular weight of 274.18 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline is sourced from PubChem (CID 107632869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).