2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine

C15H13F4NO — CID 115829866

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCOc1ccc(CC(N)c2c(F)cc(F)cc2F)cc1F
InChIInChI=1S/C15H13F4NO/c1-21-14-3-2-8(4-10(14)17)5-13(20)15-11(18)6-9(16)7-12(15)19/h2-4,6-7,13H,5,20H2,1H3
InChIKeyJOERQFVGYNJLOY-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.49
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine

2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 115829866) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID115829866
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCOc1ccc(CC(N)c2c(F)cc(F)cc2F)cc1F
InChIInChI=1S/C15H13F4NO/c1-21-14-3-2-8(4-10(14)17)5-13(20)15-11(18)6-9(16)7-12(15)19/h2-4,6-7,13H,5,20H2,1H3
InChIKeyJOERQFVGYNJLOY-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115845037
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethanamine
CID 105122196
1-(2-bromo-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829871
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
2-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)ethanamine
CID 62602782
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115829883
2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 115829621
3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine
CID 79493441
2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
CID 62607710
1-(4,5-dimethylthiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829855
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine (CID 115829866) is 2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine is COc1ccc(CC(N)c2c(F)cc(F)cc2F)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is JOERQFVGYNJLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-21-14-3-2-8(4-10(14)17)5-13(20)15-11(18)6-9(16)7-12(15)19/h2-4,6-7,13H,5,20H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 299.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 115829866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).