[2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate

C21H24F3NO4 — CID 118595347

IUPAC[2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate
SMILESCOC(COc1ccccc1COC(C)=O)CN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H24F3NO4/c1-15(26)28-13-16-6-4-5-7-20(16)29-14-19(27-3)12-25(2)18-10-8-17(9-11-18)21(22,23)24/h4-11,19H,12-14H2,1-3H3
InChIKeySQZIKKBBIDHVTL-UHFFFAOYSA-N
MW411.42 g/mol
LogP4.30
Rot. Bonds9

About [2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate

[2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate (PubChem CID 118595347) has the molecular formula C21H24F3NO4 and a molecular weight of 411.42 g/mol. Its IUPAC name is [2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate.

Molecular Properties

Compound Name[2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate
PubChem CID118595347
Molecular FormulaC21H24F3NO4
Molecular Weight411.42 g/mol
Exact Mass411.17
IUPAC Name[2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate
SMILESCOC(COc1ccccc1COC(C)=O)CN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H24F3NO4/c1-15(26)28-13-16-6-4-5-7-20(16)29-14-19(27-3)12-25(2)18-10-8-17(9-11-18)21(22,23)24/h4-11,19H,12-14H2,1-3H3
InChIKeySQZIKKBBIDHVTL-UHFFFAOYSA-N
XLogP4.30
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate 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

[2-[2-hydroxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate
CID 118595348
[2-[2-methoxy-3-[4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate
CID 53378877
(2-acetyloxyphenyl)methyl acetate
CID 10889107
[2-(acetyloxymethyl)phenyl] 2-methylpropanoate
CID 170949242
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 134254928
(2-sulfanylphenyl)methyl acetate
CID 118370744
1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol
CID 70591029
methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate
CID 62650602
1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol
CID 167467620
2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 117244544
N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline
CID 70976882
[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 15535714

Frequently Asked Questions

What is the IUPAC name of [2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate?
The IUPAC name of [2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate (CID 118595347) is [2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate.
What is the SMILES notation for [2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate?
The canonical SMILES for [2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate is COC(COc1ccccc1COC(C)=O)CN(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate?
The InChIKey is SQZIKKBBIDHVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO4/c1-15(26)28-13-16-6-4-5-7-20(16)29-14-19(27-3)12-25(2)18-10-8-17(9-11-18)21(22,23)24/h4-11,19H,12-14H2,1-3H3.
What are the key properties of [2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate?
[2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate has a molecular weight of 411.42 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-methoxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate is sourced from PubChem (CID 118595347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).