3-bromo-4-fluoro-2,6-dimethylaniline;ethane

C10H15BrFN — CID 168927832

IUPAC3-bromo-4-fluoro-2,6-dimethylaniline;ethane
SMILESCC.Cc1cc(F)c(Br)c(C)c1N
InChIInChI=1S/C8H9BrFN.C2H6/c1-4-3-6(10)7(9)5(2)8(4)11;1-2/h3H,11H2,1-2H3;1-2H3
InChIKeyIAJGDTYYOUAIEW-UHFFFAOYSA-N
MW248.14 g/mol
LogP3.81
Rot. Bonds

About 3-bromo-4-fluoro-2,6-dimethylaniline;ethane

3-bromo-4-fluoro-2,6-dimethylaniline;ethane (PubChem CID 168927832) has the molecular formula C10H15BrFN and a molecular weight of 248.14 g/mol. Its IUPAC name is 3-bromo-4-fluoro-2,6-dimethylaniline;ethane.

Molecular Properties

Compound Name3-bromo-4-fluoro-2,6-dimethylaniline;ethane
PubChem CID168927832
Molecular FormulaC10H15BrFN
Molecular Weight248.14 g/mol
Exact Mass247.04
IUPAC Name3-bromo-4-fluoro-2,6-dimethylaniline;ethane
SMILESCC.Cc1cc(F)c(Br)c(C)c1N
InChIInChI=1S/C8H9BrFN.C2H6/c1-4-3-6(10)7(9)5(2)8(4)11;1-2/h3H,11H2,1-2H3;1-2H3
InChIKeyIAJGDTYYOUAIEW-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2,4-difluoro-6-methylaniline;hydrochloride
CID 178161006
2-amino-3-bromo-6-fluoro-4-methylphenol
CID 84685280
1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
CID 130980809
2-bromo-1-fluoro-3,5-dimethylbenzene;ethane
CID 142302945
6-amino-3-bromo-4-fluoro-2-methylbenzonitrile
CID 54107179
2-bromo-6-chloro-4-fluoro-3-methylaniline
CID 56965564
2-bromo-4-fluoro-6-methylaniline
CID 2773378
4-bromo-2,6-difluoro-3-methylaniline
CID 57493956
4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117479935
(2-bromo-3-fluoro-5,6-dimethylphenyl)methanol
CID 84696348
4-amino-2-fluoro-3,5-dimethylbenzonitrile
CID 156889855
6-bromo-3,4-difluoro-2-methylaniline
CID 14738850

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-2,6-dimethylaniline;ethane?
The IUPAC name of 3-bromo-4-fluoro-2,6-dimethylaniline;ethane (CID 168927832) is 3-bromo-4-fluoro-2,6-dimethylaniline;ethane.
What is the SMILES notation for 3-bromo-4-fluoro-2,6-dimethylaniline;ethane?
The canonical SMILES for 3-bromo-4-fluoro-2,6-dimethylaniline;ethane is CC.Cc1cc(F)c(Br)c(C)c1N.
What is the InChIKey of 3-bromo-4-fluoro-2,6-dimethylaniline;ethane?
The InChIKey is IAJGDTYYOUAIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN.C2H6/c1-4-3-6(10)7(9)5(2)8(4)11;1-2/h3H,11H2,1-2H3;1-2H3.
What are the key properties of 3-bromo-4-fluoro-2,6-dimethylaniline;ethane?
3-bromo-4-fluoro-2,6-dimethylaniline;ethane has a molecular weight of 248.14 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-2,6-dimethylaniline;ethane is sourced from PubChem (CID 168927832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).