5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline

C12H18FNO — CID 103590975

IUPAC5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline
SMILESCCC(C)(C)Oc1cc(C)c(F)cc1N
InChIInChI=1S/C12H18FNO/c1-5-12(3,4)15-11-6-8(2)9(13)7-10(11)14/h6-7H,5,14H2,1-4H3
InChIKeyIBRXCCKLLLVTHD-UHFFFAOYSA-N
MW211.28 g/mol
LogP3.28
Rot. Bonds3

About 5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline

5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline (PubChem CID 103590975) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline
PubChem CID103590975
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline
SMILESCCC(C)(C)Oc1cc(C)c(F)cc1N
InChIInChI=1S/C12H18FNO/c1-5-12(3,4)15-11-6-8(2)9(13)7-10(11)14/h6-7H,5,14H2,1-4H3
InChIKeyIBRXCCKLLLVTHD-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline?
The IUPAC name of 5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline (CID 103590975) is 5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline.
What is the SMILES notation for 5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline?
The canonical SMILES for 5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline is CCC(C)(C)Oc1cc(C)c(F)cc1N.
What is the InChIKey of 5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline?
The InChIKey is IBRXCCKLLLVTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-5-12(3,4)15-11-6-8(2)9(13)7-10(11)14/h6-7H,5,14H2,1-4H3.
What are the key properties of 5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline?
5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline has a molecular weight of 211.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline is sourced from PubChem (CID 103590975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).