2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline

C17H20FNO — CID 60789578

IUPAC2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline
SMILESCc1ccc(C(C)(C)C)c(Oc2cccc(F)c2N)c1
InChIInChI=1S/C17H20FNO/c1-11-8-9-12(17(2,3)4)15(10-11)20-14-7-5-6-13(18)16(14)19/h5-10H,19H2,1-4H3
InChIKeyGDOLRPWKYJPUSA-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.81
Rot. Bonds2

About 2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline

2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline (PubChem CID 60789578) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline
PubChem CID60789578
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline
SMILESCc1ccc(C(C)(C)C)c(Oc2cccc(F)c2N)c1
InChIInChI=1S/C17H20FNO/c1-11-8-9-12(17(2,3)4)15(10-11)20-14-7-5-6-13(18)16(14)19/h5-10H,19H2,1-4H3
InChIKeyGDOLRPWKYJPUSA-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.81
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 2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline?
The IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline (CID 60789578) is 2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline.
What is the SMILES notation for 2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline?
The canonical SMILES for 2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline is Cc1ccc(C(C)(C)C)c(Oc2cccc(F)c2N)c1.
What is the InChIKey of 2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline?
The InChIKey is GDOLRPWKYJPUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-8-9-12(17(2,3)4)15(10-11)20-14-7-5-6-13(18)16(14)19/h5-10H,19H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline?
2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline has a molecular weight of 273.35 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methylphenoxy)-6-fluoroaniline is sourced from PubChem (CID 60789578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).