4-fluoro-5-phenyl-2-propan-2-yloxyaniline

C15H16FNO — CID 175239522

IUPAC4-fluoro-5-phenyl-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(F)c(-c2ccccc2)cc1N
InChIInChI=1S/C15H16FNO/c1-10(2)18-15-9-13(16)12(8-14(15)17)11-6-4-3-5-7-11/h3-10H,17H2,1-2H3
InChIKeyRAGLIUMGXXGPFA-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.86
Rot. Bonds3

About 4-fluoro-5-phenyl-2-propan-2-yloxyaniline

4-fluoro-5-phenyl-2-propan-2-yloxyaniline (PubChem CID 175239522) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-fluoro-5-phenyl-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-fluoro-5-phenyl-2-propan-2-yloxyaniline
PubChem CID175239522
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-fluoro-5-phenyl-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(F)c(-c2ccccc2)cc1N
InChIInChI=1S/C15H16FNO/c1-10(2)18-15-9-13(16)12(8-14(15)17)11-6-4-3-5-7-11/h3-10H,17H2,1-2H3
InChIKeyRAGLIUMGXXGPFA-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.86
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 4-fluoro-5-phenyl-2-propan-2-yloxyaniline?
The IUPAC name of 4-fluoro-5-phenyl-2-propan-2-yloxyaniline (CID 175239522) is 4-fluoro-5-phenyl-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-fluoro-5-phenyl-2-propan-2-yloxyaniline?
The canonical SMILES for 4-fluoro-5-phenyl-2-propan-2-yloxyaniline is CC(C)Oc1cc(F)c(-c2ccccc2)cc1N.
What is the InChIKey of 4-fluoro-5-phenyl-2-propan-2-yloxyaniline?
The InChIKey is RAGLIUMGXXGPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10(2)18-15-9-13(16)12(8-14(15)17)11-6-4-3-5-7-11/h3-10H,17H2,1-2H3.
What are the key properties of 4-fluoro-5-phenyl-2-propan-2-yloxyaniline?
4-fluoro-5-phenyl-2-propan-2-yloxyaniline has a molecular weight of 245.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-phenyl-2-propan-2-yloxyaniline is sourced from PubChem (CID 175239522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).