2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline

C15H14F3NO2 — CID 19627063

IUPAC2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline
SMILESCOc1ccccc1COc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C15H14F3NO2/c1-20-13-5-3-2-4-10(13)9-21-14-7-6-11(8-12(14)19)15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyCGHGZKZGIRDWMG-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.88
Rot. Bonds4

About 2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline

2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline (PubChem CID 19627063) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline
PubChem CID19627063
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline
SMILESCOc1ccccc1COc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C15H14F3NO2/c1-20-13-5-3-2-4-10(13)9-21-14-7-6-11(8-12(14)19)15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyCGHGZKZGIRDWMG-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-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
CID 63933444
5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19627067
3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline
CID 19627049
2-[(2-methoxyphenyl)methoxy]pyridin-3-amine
CID 117096182
2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline
CID 104795950
O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315137
2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline
CID 82007498
2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
CID 63986344
methyl 3-[2-amino-4-(trifluoromethyl)phenoxy]propanoate
CID 82007655
3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline
CID 117095722
5-fluoro-2-[(2-methoxyphenyl)methoxy]benzenesulfonamide
CID 62104803

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline (CID 19627063) is 2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline is COc1ccccc1COc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline?
The InChIKey is CGHGZKZGIRDWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-20-13-5-3-2-4-10(13)9-21-14-7-6-11(8-12(14)19)15(16,17)18/h2-8H,9,19H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline?
2-[(2-methoxyphenyl)methoxy]-5-(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 2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 19627063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).