2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline

C14H12F3NO2 — CID 2735929

IUPAC2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1
InChIInChI=1S/C14H12F3NO2/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(8-12(13)18)14(15,16)17/h2-8H,18H2,1H3
InChIKeyPKPSWDNMWOYYEX-UHFFFAOYSA-N
MW283.25 g/mol
LogP4.09
Rot. Bonds3

About 2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline

2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline (PubChem CID 2735929) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline
PubChem CID2735929
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1
InChIInChI=1S/C14H12F3NO2/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(8-12(13)18)14(15,16)17/h2-8H,18H2,1H3
InChIKeyPKPSWDNMWOYYEX-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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 2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline (CID 2735929) is 2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline is COc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline?
The InChIKey is PKPSWDNMWOYYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(8-12(13)18)14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline?
2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline has a molecular weight of 283.25 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 2735929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).