4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline

C15H14F3NO2 — CID 117220166

IUPAC4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline
SMILESCOc1ccccc1OCc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO2/c1-20-13-4-2-3-5-14(13)21-9-10-6-7-12(19)11(8-10)15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyCLIZGFSBQNQPAE-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.88
Rot. Bonds4

About 4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline

4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline (PubChem CID 117220166) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline
PubChem CID117220166
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline
SMILESCOc1ccccc1OCc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO2/c1-20-13-4-2-3-5-14(13)21-9-10-6-7-12(19)11(8-10)15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyCLIZGFSBQNQPAE-UHFFFAOYSA-N
XLogP3.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.88
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

2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 117220190
2-chloro-5-[(2-methoxyphenoxy)methyl]aniline
CID 43349947
3-[[4-amino-3-(trifluoromethyl)phenyl]methoxy]phenol
CID 117220304
4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline
CID 117220300
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)aniline
CID 61296725
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
4-(aminomethyl)-2-(trifluoromethyl)aniline
CID 55255909
1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
CID 65490532
1-methoxy-2-[(4-phenylphenyl)methoxy]benzene
CID 67858860

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline (CID 117220166) is 4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline is COc1ccccc1OCc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is CLIZGFSBQNQPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-20-13-4-2-3-5-14(13)21-9-10-6-7-12(19)11(8-10)15(16,17)18/h2-8H,9,19H2,1H3.
What are the key properties of 4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline?
4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 297.28 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 117220166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).