5-fluoro-2-(4-phenylmethoxyphenoxy)aniline

C19H16FNO2 — CID 22120984

IUPAC5-fluoro-2-(4-phenylmethoxyphenoxy)aniline
SMILESNc1cc(F)ccc1Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H16FNO2/c20-15-6-11-19(18(21)12-15)23-17-9-7-16(8-10-17)22-13-14-4-2-1-3-5-14/h1-12H,13,21H2
InChIKeyGADVEEQOLSHOHS-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.78
Rot. Bonds5

About 5-fluoro-2-(4-phenylmethoxyphenoxy)aniline

5-fluoro-2-(4-phenylmethoxyphenoxy)aniline (PubChem CID 22120984) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-fluoro-2-(4-phenylmethoxyphenoxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-(4-phenylmethoxyphenoxy)aniline
PubChem CID22120984
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name5-fluoro-2-(4-phenylmethoxyphenoxy)aniline
SMILESNc1cc(F)ccc1Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H16FNO2/c20-15-6-11-19(18(21)12-15)23-17-9-7-16(8-10-17)22-13-14-4-2-1-3-5-14/h1-12H,13,21H2
InChIKeyGADVEEQOLSHOHS-UHFFFAOYSA-N
XLogP4.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-phenylmethoxyphenoxy)aniline?
The IUPAC name of 5-fluoro-2-(4-phenylmethoxyphenoxy)aniline (CID 22120984) is 5-fluoro-2-(4-phenylmethoxyphenoxy)aniline.
What is the SMILES notation for 5-fluoro-2-(4-phenylmethoxyphenoxy)aniline?
The canonical SMILES for 5-fluoro-2-(4-phenylmethoxyphenoxy)aniline is Nc1cc(F)ccc1Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-fluoro-2-(4-phenylmethoxyphenoxy)aniline?
The InChIKey is GADVEEQOLSHOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-15-6-11-19(18(21)12-15)23-17-9-7-16(8-10-17)22-13-14-4-2-1-3-5-14/h1-12H,13,21H2.
What are the key properties of 5-fluoro-2-(4-phenylmethoxyphenoxy)aniline?
5-fluoro-2-(4-phenylmethoxyphenoxy)aniline has a molecular weight of 309.34 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-phenylmethoxyphenoxy)aniline is sourced from PubChem (CID 22120984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).