3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline

C20H16F3NO2 — CID 166176232

IUPAC3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline
SMILESNc1cc(OC(F)(F)F)cc(-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)26-17-11-15(10-16(24)12-17)18-8-4-5-9-19(18)25-13-14-6-2-1-3-7-14/h1-12H,13,24H2
InChIKeyVOYDJORPOIBUCC-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.41
Rot. Bonds5

About 3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline

3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline (PubChem CID 166176232) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline
PubChem CID166176232
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Name3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline
SMILESNc1cc(OC(F)(F)F)cc(-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)26-17-11-15(10-16(24)12-17)18-8-4-5-9-19(18)25-13-14-6-2-1-3-7-14/h1-12H,13,24H2
InChIKeyVOYDJORPOIBUCC-UHFFFAOYSA-N
XLogP5.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.41
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

3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline
CID 166176231
2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene
CID 172676595
6-(2-phenylmethoxyphenyl)naphthalen-2-amine
CID 172868680
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 172674848
3-fluoro-5-(2-phenylmethoxyphenyl)pyridin-2-amine
CID 175669945
1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
CID 53216974
4-ethynyl-2-phenylmethoxy-1-[2-(trifluoromethoxy)phenyl]benzene
CID 176508519
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
2-(4-aminophenyl)-6-phenylmethoxyaniline
CID 68786338
1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64763975
5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine
CID 58289339

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline?
The IUPAC name of 3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline (CID 166176232) is 3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline.
What is the SMILES notation for 3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline?
The canonical SMILES for 3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline is Nc1cc(OC(F)(F)F)cc(-c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline?
The InChIKey is VOYDJORPOIBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2/c21-20(22,23)26-17-11-15(10-16(24)12-17)18-8-4-5-9-19(18)25-13-14-6-2-1-3-7-14/h1-12H,13,24H2.
What are the key properties of 3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline?
3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline has a molecular weight of 359.35 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline is sourced from PubChem (CID 166176232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).