2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline

C16H18FNO — CID 26189675

IUPAC2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline
SMILESCC[C@@H](C)c1ccc(Oc2ccc(F)cc2N)cc1
InChIInChI=1S/C16H18FNO/c1-3-11(2)12-4-7-14(8-5-12)19-16-9-6-13(17)10-15(16)18/h4-11H,3,18H2,1-2H3/t11-/m1/s1
InChIKeyWTPTZMOVXZMNEY-LLVKDONJSA-N
MW259.32 g/mol
LogP4.71
Rot. Bonds4

About 2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline

2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline (PubChem CID 26189675) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline.

Molecular Properties

Compound Name2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline
PubChem CID26189675
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline
SMILESCC[C@@H](C)c1ccc(Oc2ccc(F)cc2N)cc1
InChIInChI=1S/C16H18FNO/c1-3-11(2)12-4-7-14(8-5-12)19-16-9-6-13(17)10-15(16)18/h4-11H,3,18H2,1-2H3/t11-/m1/s1
InChIKeyWTPTZMOVXZMNEY-LLVKDONJSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.71
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-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
3-amino-4-(4-butan-2-ylphenoxy)benzamide
CID 107663745
(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
CID 107665857
2-(4-tert-butylphenoxy)-5-fluoroaniline
CID 26189672
5-fluoro-2-(4-methylsulfanylphenoxy)aniline
CID 63649631
2-(4-chlorophenoxy)-5-fluoroaniline
CID 26189667
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361
4-(4-butan-2-ylphenoxy)-3-fluorobenzenecarbothioamide
CID 107664887
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-(4-butan-2-ylphenoxy)-4-chloro-2-(chloromethyl)benzene
CID 107666188
[2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107664056
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline?
The IUPAC name of 2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline (CID 26189675) is 2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline.
What is the SMILES notation for 2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline?
The canonical SMILES for 2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline is CC[C@@H](C)c1ccc(Oc2ccc(F)cc2N)cc1.
What is the InChIKey of 2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline?
The InChIKey is WTPTZMOVXZMNEY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-11(2)12-4-7-14(8-5-12)19-16-9-6-13(17)10-15(16)18/h4-11H,3,18H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline?
2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline has a molecular weight of 259.32 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline is sourced from PubChem (CID 26189675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).