2-(4-tert-butylphenoxy)-5-fluoroaniline

C16H18FNO — CID 26189672

IUPAC2-(4-tert-butylphenoxy)-5-fluoroaniline
SMILESCC(C)(C)c1ccc(Oc2ccc(F)cc2N)cc1
InChIInChI=1S/C16H18FNO/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)18/h4-10H,18H2,1-3H3
InChIKeyFUMTXLDEVQMLCQ-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.50
Rot. Bonds2

About 2-(4-tert-butylphenoxy)-5-fluoroaniline

2-(4-tert-butylphenoxy)-5-fluoroaniline (PubChem CID 26189672) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-5-fluoroaniline.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-5-fluoroaniline
PubChem CID26189672
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(4-tert-butylphenoxy)-5-fluoroaniline
SMILESCC(C)(C)c1ccc(Oc2ccc(F)cc2N)cc1
InChIInChI=1S/C16H18FNO/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)18/h4-10H,18H2,1-3H3
InChIKeyFUMTXLDEVQMLCQ-UHFFFAOYSA-N
XLogP4.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylphenoxy)-5-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butylphenoxy)-2,4-difluorobenzene
CID 70799684
5-fluoro-2-(4-methylsulfanylphenoxy)aniline
CID 63649631
2-(4-chlorophenoxy)-5-fluoroaniline
CID 26189667
2-(4-tert-butylphenoxy)aniline
CID 26189124
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline
CID 26189675
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
3-amino-4-(4-fluorophenoxy)phenol
CID 14722260
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
2-(4-tert-butyl-2-methylphenoxy)-4-fluoroaniline
CID 63457104
5-tert-butyl-2-(4-nitrophenoxy)aniline
CID 8002852
(2-amino-4-fluorophenyl) nitrite
CID 76851388

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-5-fluoroaniline?
The IUPAC name of 2-(4-tert-butylphenoxy)-5-fluoroaniline (CID 26189672) is 2-(4-tert-butylphenoxy)-5-fluoroaniline.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-5-fluoroaniline?
The canonical SMILES for 2-(4-tert-butylphenoxy)-5-fluoroaniline is CC(C)(C)c1ccc(Oc2ccc(F)cc2N)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-5-fluoroaniline?
The InChIKey is FUMTXLDEVQMLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)18/h4-10H,18H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenoxy)-5-fluoroaniline?
2-(4-tert-butylphenoxy)-5-fluoroaniline has a molecular weight of 259.32 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-5-fluoroaniline is sourced from PubChem (CID 26189672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).