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

C14H12F3NO2 — CID 166176231

IUPAC3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline
SMILESCOc1ccccc1-c1cc(N)cc(OC(F)(F)F)c1
InChIInChI=1S/C14H12F3NO2/c1-19-13-5-3-2-4-12(13)9-6-10(18)8-11(7-9)20-14(15,16)17/h2-8H,18H2,1H3
InChIKeyXMGLIJYCJWEKPZ-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.84
Rot. Bonds3

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

3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline (PubChem CID 166176231) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline
PubChem CID166176231
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline
SMILESCOc1ccccc1-c1cc(N)cc(OC(F)(F)F)c1
InChIInChI=1S/C14H12F3NO2/c1-19-13-5-3-2-4-12(13)9-6-10(18)8-11(7-9)20-14(15,16)17/h2-8H,18H2,1H3
InChIKeyXMGLIJYCJWEKPZ-UHFFFAOYSA-N
XLogP3.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.84
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-phenylmethoxyphenyl)-5-(trifluoromethoxy)aniline
CID 166176232
3-(2-methoxyphenyl)-5-(trifluoromethoxy)benzonitrile
CID 172990900
3-(3-methylphenyl)-5-(trifluoromethoxy)aniline
CID 166176237
3-methoxy-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 172989952
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline
CID 89422799
5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811619
5-(2-methoxyphenyl)-3-(trifluoromethyl)pyridin-2-amine
CID 139370325
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline?
The IUPAC name of 3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline (CID 166176231) is 3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline?
The canonical SMILES for 3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline is COc1ccccc1-c1cc(N)cc(OC(F)(F)F)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline?
The InChIKey is XMGLIJYCJWEKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-19-13-5-3-2-4-12(13)9-6-10(18)8-11(7-9)20-14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline?
3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline has a molecular weight of 283.25 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline is sourced from PubChem (CID 166176231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).