2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline

C15H14F3NO2 — CID 63986344

IUPAC2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
SMILESCOCc1cccc(Oc2ccc(C(F)(F)F)cc2N)c1
InChIInChI=1S/C15H14F3NO2/c1-20-9-10-3-2-4-12(7-10)21-14-6-5-11(8-13(14)19)15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyUILKRIVQGYMHGI-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.23
Rot. Bonds4

About 2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline

2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline (PubChem CID 63986344) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
PubChem CID63986344
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
SMILESCOCc1cccc(Oc2ccc(C(F)(F)F)cc2N)c1
InChIInChI=1S/C15H14F3NO2/c1-20-9-10-3-2-4-12(7-10)21-14-6-5-11(8-13(14)19)15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyUILKRIVQGYMHGI-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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

5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline
CID 107259906
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 61229517
2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline
CID 174463827
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
4-[3-(methoxymethyl)phenoxy]quinolin-8-amine
CID 83066383
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43331214
5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19627067
[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 13090688
3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine
CID 102988229
2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline
CID 19627063

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline (CID 63986344) is 2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline is COCc1cccc(Oc2ccc(C(F)(F)F)cc2N)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline?
The InChIKey is UILKRIVQGYMHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-20-9-10-3-2-4-12(7-10)21-14-6-5-11(8-13(14)19)15(16,17)18/h2-8H,9,19H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline?
2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline has a molecular weight of 297.28 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63986344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).