5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline

C15H16BrFN2O — CID 107875013

IUPAC5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline
SMILESCC(C)(C)c1ccc(Oc2cc(F)c(Br)cc2N)nc1
InChIInChI=1S/C15H16BrFN2O/c1-15(2,3)9-4-5-14(19-8-9)20-13-7-11(17)10(16)6-12(13)18/h4-8H,18H2,1-3H3
InChIKeyCTTXWNMDUVNDGF-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.66
Rot. Bonds2

About 5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline

5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline (PubChem CID 107875013) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline
PubChem CID107875013
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline
SMILESCC(C)(C)c1ccc(Oc2cc(F)c(Br)cc2N)nc1
InChIInChI=1S/C15H16BrFN2O/c1-15(2,3)9-4-5-14(19-8-9)20-13-7-11(17)10(16)6-12(13)18/h4-8H,18H2,1-3H3
InChIKeyCTTXWNMDUVNDGF-UHFFFAOYSA-N
XLogP4.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-tert-butylphenoxy)-4-fluoroaniline
CID 66111747
5-bromo-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 65429611
5-bromo-2-(2-tert-butyl-5-methylphenoxy)-4-fluoroaniline
CID 66111165
5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline
CID 103483716
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 107875372
5-bromo-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 103483732
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
5-tert-butyl-2-(4-fluorophenoxy)pyridine
CID 69192638
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
methyl 4-(2-amino-4-bromo-5-fluorophenoxy)pyrimidine-2-carboxylate
CID 103483878

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline?
The IUPAC name of 5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline (CID 107875013) is 5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline is CC(C)(C)c1ccc(Oc2cc(F)c(Br)cc2N)nc1.
What is the InChIKey of 5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline?
The InChIKey is CTTXWNMDUVNDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-15(2,3)9-4-5-14(19-8-9)20-13-7-11(17)10(16)6-12(13)18/h4-8H,18H2,1-3H3.
What are the key properties of 5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline?
5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline has a molecular weight of 339.21 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline is sourced from PubChem (CID 107875013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).