1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine

C16H16F3NO2 — CID 117242766

IUPAC1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
SMILESCOc1cccc(C(N)COc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3NO2/c1-21-14-4-2-3-11(9-14)15(20)10-22-13-7-5-12(6-8-13)16(17,18)19/h2-9,15H,10,20H2,1H3
InChIKeyLONKHOCTKRCJIR-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.79
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine

1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 117242766) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
PubChem CID117242766
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
SMILESCOc1cccc(C(N)COc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3NO2/c1-21-14-4-2-3-11(9-14)15(20)10-22-13-7-5-12(6-8-13)16(17,18)19/h2-9,15H,10,20H2,1H3
InChIKeyLONKHOCTKRCJIR-UHFFFAOYSA-N
XLogP3.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
CID 63036932
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
1-(3-methoxyphenyl)-2-naphthalen-1-yloxyethanamine
CID 16788018
2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 117244544
1-(3-methoxyphenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 62791846
1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 43118068
2-(2-ethylphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 43364268

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine (CID 117242766) is 1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine is COc1cccc(C(N)COc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is LONKHOCTKRCJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-21-14-4-2-3-11(9-14)15(20)10-22-13-7-5-12(6-8-13)16(17,18)19/h2-9,15H,10,20H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine?
1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine has a molecular weight of 311.30 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine is sourced from PubChem (CID 117242766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).