4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline

C14H12F3NO2 — CID 26189930

IUPAC4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline
SMILESCOc1cccc(Oc2ccc(N)c(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO2/c1-19-9-3-2-4-10(7-9)20-11-5-6-13(18)12(8-11)14(15,16)17/h2-8H,18H2,1H3
InChIKeyVUPJYAKNRKKHKI-UHFFFAOYSA-N
MW283.25 g/mol
LogP4.09
Rot. Bonds3

About 4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline

4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline (PubChem CID 26189930) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline
PubChem CID26189930
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline
SMILESCOc1cccc(Oc2ccc(N)c(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO2/c1-19-9-3-2-4-10(7-9)20-11-5-6-13(18)12(8-11)14(15,16)17/h2-8H,18H2,1H3
InChIKeyVUPJYAKNRKKHKI-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'}

Analyze 4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
4-(3-bromo-4-fluorophenoxy)-2-(trifluoromethyl)aniline
CID 83232506
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
4-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63647439
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
4-(2-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63648643
4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline
CID 26189911
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873
3-(2-amino-5-methoxyphenyl)pentan-3-ol
CID 67269604
4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline
CID 175080300
4-(3-methoxyphenoxy)-2-propoxyaniline
CID 63678000
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline (CID 26189930) is 4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline is COc1cccc(Oc2ccc(N)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline?
The InChIKey is VUPJYAKNRKKHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-19-9-3-2-4-10(7-9)20-11-5-6-13(18)12(8-11)14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline?
4-(3-methoxyphenoxy)-2-(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 4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 26189930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).