2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine

C16H16F3NO2 — CID 117244544

IUPAC2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccccc1OCC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2/c1-21-14-4-2-3-5-15(14)22-10-13(20)11-6-8-12(9-7-11)16(17,18)19/h2-9,13H,10,20H2,1H3
InChIKeyMICSFEFCJMNNHX-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.79
Rot. Bonds5

About 2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine

2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 117244544) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID117244544
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccccc1OCC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2/c1-21-14-4-2-3-5-15(14)22-10-13(20)11-6-8-12(9-7-11)16(17,18)19/h2-9,13H,10,20H2,1H3
InChIKeyMICSFEFCJMNNHX-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-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711
1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 117242766
2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 117242621
2-[2-amino-2-(4-methoxyphenyl)ethoxy]phenol
CID 117244585
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
CID 163970226
3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine
CID 103366694
2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107523851
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115533717
2-(2-fluorophenoxy)-1-(4-fluorophenyl)ethanamine
CID 16784701
1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16783272
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 117244544) is 2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine is COc1ccccc1OCC(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is MICSFEFCJMNNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-21-14-4-2-3-5-15(14)22-10-13(20)11-6-8-12(9-7-11)16(17,18)19/h2-9,13H,10,20H2,1H3.
What are the key properties of 2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine?
2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]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 2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 117244544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).