5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline

C17H18F3NO4 — CID 19627067

IUPAC5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
SMILESCOc1cc(COc2ccc(C(F)(F)F)cc2N)cc(OC)c1OC
InChIInChI=1S/C17H18F3NO4/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-25-13-5-4-11(8-12(13)21)17(18,19)20/h4-8H,9,21H2,1-3H3
InChIKeyLAAICFLEQPNPRW-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.89
Rot. Bonds6

About 5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline

5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline (PubChem CID 19627067) has the molecular formula C17H18F3NO4 and a molecular weight of 357.33 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
PubChem CID19627067
Molecular FormulaC17H18F3NO4
Molecular Weight357.33 g/mol
Exact Mass357.12
IUPAC Name5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
SMILESCOc1cc(COc2ccc(C(F)(F)F)cc2N)cc(OC)c1OC
InChIInChI=1S/C17H18F3NO4/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-25-13-5-4-11(8-12(13)21)17(18,19)20/h4-8H,9,21H2,1-3H3
InChIKeyLAAICFLEQPNPRW-UHFFFAOYSA-N
XLogP3.89
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624547
2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline
CID 19627063
2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
CID 63933444
2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline
CID 104795950
4-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19626867
2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline
CID 82007498
2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
CID 63986344
4-[3-[[5-(3-carboxypropoxycarbonyl)-2,3-dimethoxyphenoxy]methyl]-5-(trifluoromethyl)benzoyl]oxybutanoic acid
CID 154993898
methyl 3-[2-amino-4-(trifluoromethyl)phenoxy]propanoate
CID 82007655
3-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624482
2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline
CID 19627049
2-[2-(2-methylpropoxy)ethoxy]-5-(trifluoromethyl)aniline
CID 106446774

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline?
The IUPAC name of 5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline (CID 19627067) is 5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline.
What is the SMILES notation for 5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline?
The canonical SMILES for 5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline is COc1cc(COc2ccc(C(F)(F)F)cc2N)cc(OC)c1OC.
What is the InChIKey of 5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline?
The InChIKey is LAAICFLEQPNPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO4/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-25-13-5-4-11(8-12(13)21)17(18,19)20/h4-8H,9,21H2,1-3H3.
What are the key properties of 5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline?
5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline has a molecular weight of 357.33 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline is sourced from PubChem (CID 19627067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).