3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline

C11H15F2NO — CID 62533760

IUPAC3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline
SMILESCCC(C)(C)Oc1c(N)ccc(F)c1F
InChIInChI=1S/C11H15F2NO/c1-4-11(2,3)15-10-8(14)6-5-7(12)9(10)13/h5-6H,4,14H2,1-3H3
InChIKeyZCFBEMMYGABUGM-UHFFFAOYSA-N
MW215.24 g/mol
LogP3.11
Rot. Bonds3

About 3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline

3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline (PubChem CID 62533760) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline.

Molecular Properties

Compound Name3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline
PubChem CID62533760
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline
SMILESCCC(C)(C)Oc1c(N)ccc(F)c1F
InChIInChI=1S/C11H15F2NO/c1-4-11(2,3)15-10-8(14)6-5-7(12)9(10)13/h5-6H,4,14H2,1-3H3
InChIKeyZCFBEMMYGABUGM-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-3,4-difluoroaniline
CID 22118017
2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
CID 10358364
4-fluoro-2-(2-methylbutan-2-yloxy)aniline
CID 62377670
[3,5-difluoro-4-(2-methylbutan-2-yloxy)phenyl]methanamine
CID 81293219
2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline
CID 62533946
1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 166607816
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
CID 144811052
5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline
CID 103590975
2-methyl-4-(2-methylbutan-2-yloxy)aniline
CID 43436413
1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol
CID 65103314
2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline
CID 65126930
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline?
The IUPAC name of 3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline (CID 62533760) is 3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline.
What is the SMILES notation for 3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline?
The canonical SMILES for 3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline is CCC(C)(C)Oc1c(N)ccc(F)c1F.
What is the InChIKey of 3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline?
The InChIKey is ZCFBEMMYGABUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-4-11(2,3)15-10-8(14)6-5-7(12)9(10)13/h5-6H,4,14H2,1-3H3.
What are the key properties of 3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline?
3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline has a molecular weight of 215.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline is sourced from PubChem (CID 62533760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).