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

C12H17BrFN — CID 83157091

IUPAC5-bromo-2-fluoro-N-(4-methylpentyl)aniline
SMILESCC(C)CCCNc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFN/c1-9(2)4-3-7-15-12-8-10(13)5-6-11(12)14/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyTZBPPPJVBWJKNW-UHFFFAOYSA-N
MW274.18 g/mol
LogP4.44
Rot. Bonds5

About 5-bromo-2-fluoro-N-(4-methylpentyl)aniline

5-bromo-2-fluoro-N-(4-methylpentyl)aniline (PubChem CID 83157091) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(4-methylpentyl)aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(4-methylpentyl)aniline
PubChem CID83157091
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name5-bromo-2-fluoro-N-(4-methylpentyl)aniline
SMILESCC(C)CCCNc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFN/c1-9(2)4-3-7-15-12-8-10(13)5-6-11(12)14/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyTZBPPPJVBWJKNW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525087
5-bromo-2-fluoro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451652
5-bromo-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 61485154
N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 43555732
2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline
CID 103585744
(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
CID 93345470
3,4-difluoro-N-(4-methylpentyl)aniline
CID 83155387
1-N-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 115200416
5-bromo-2-fluoro-N-(3-methylbut-3-enyl)aniline
CID 114472052
5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline
CID 63488219
4-bromo-2-(7-methyloctylamino)benzoic acid
CID 107818202
1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115222052

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(4-methylpentyl)aniline?
The IUPAC name of 5-bromo-2-fluoro-N-(4-methylpentyl)aniline (CID 83157091) is 5-bromo-2-fluoro-N-(4-methylpentyl)aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-(4-methylpentyl)aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-(4-methylpentyl)aniline is CC(C)CCCNc1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(4-methylpentyl)aniline?
The InChIKey is TZBPPPJVBWJKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-9(2)4-3-7-15-12-8-10(13)5-6-11(12)14/h5-6,8-9,15H,3-4,7H2,1-2H3.
What are the key properties of 5-bromo-2-fluoro-N-(4-methylpentyl)aniline?
5-bromo-2-fluoro-N-(4-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 5-bromo-2-fluoro-N-(4-methylpentyl)aniline is sourced from PubChem (CID 83157091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).