2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine

C15H15F3N2O — CID 63320510

IUPAC2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine
SMILESNCCc1ccc(OCc2ccccn2)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)13-9-11(6-7-19)4-5-14(13)21-10-12-3-1-2-8-20-12/h1-5,8-9H,6-7,10,19H2
InChIKeyCIYQZZDVIFVLRW-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.18
Rot. Bonds5

About 2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine

2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 63320510) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID63320510
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine
SMILESNCCc1ccc(OCc2ccccn2)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)13-9-11(6-7-19)4-5-14(13)21-10-12-3-1-2-8-20-12/h1-5,8-9H,6-7,10,19H2
InChIKeyCIYQZZDVIFVLRW-UHFFFAOYSA-N
XLogP3.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine 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

[4-pyridin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468298
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
[4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468310
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 63320770
2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol
CID 143451373
2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 63320243
2-[4-but-2-ynoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 63320376
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 69293709
3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide
CID 63320724
1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine (CID 63320510) is 2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine is NCCc1ccc(OCc2ccccn2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is CIYQZZDVIFVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)13-9-11(6-7-19)4-5-14(13)21-10-12-3-1-2-8-20-12/h1-5,8-9H,6-7,10,19H2.
What are the key properties of 2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine?
2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 296.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 63320510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).