5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline

C20H16F3NO2 — CID 172674848

IUPAC5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
SMILESNc1cc(OCc2ccccc2)ccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)26-17-8-4-7-15(11-17)18-10-9-16(12-19(18)24)25-13-14-5-2-1-3-6-14/h1-12H,13,24H2
InChIKeyNZNUCTIGRCTPAD-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.41
Rot. Bonds5

About 5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline

5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline (PubChem CID 172674848) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
PubChem CID172674848
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Name5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
SMILESNc1cc(OCc2ccccc2)ccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)26-17-8-4-7-15(11-17)18-10-9-16(12-19(18)24)25-13-14-5-2-1-3-6-14/h1-12H,13,24H2
InChIKeyNZNUCTIGRCTPAD-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

1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
5-fluoro-2-methyl-4-(3-phenylmethoxyphenyl)aniline
CID 171916620
4-(2-amino-4-phenylmethoxyphenyl)benzonitrile
CID 172674866
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
3-(2-benzylphenyl)-1-(4-phenoxyphenyl)-4-(3-phenylmethoxyphenyl)-2-(trifluoromethoxy)benzene
CID 123915119
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698
[3-[(E)-3-amino-3-oxoprop-1-enyl]-4-(3-phenylmethoxyphenyl)phenyl] trifluoromethanesulfonate
CID 134229858
3-(2-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline
CID 166176232
4-methyl-5-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 178203209

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline (CID 172674848) is 5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline is Nc1cc(OCc2ccccc2)ccc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline?
The InChIKey is NZNUCTIGRCTPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2/c21-20(22,23)26-17-8-4-7-15(11-17)18-10-9-16(12-19(18)24)25-13-14-5-2-1-3-6-14/h1-12H,13,24H2.
What are the key properties of 5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline?
5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]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 5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 172674848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).