1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine

C15H15F3N2O — CID 117052148

IUPAC1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1OC(c1ccccn1)C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c1-10(19)11-6-2-3-8-13(11)21-14(15(16,17)18)12-7-4-5-9-20-12/h2-10,14H,19H2,1H3
InChIKeyFISQTCUGLGPZJH-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine

1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine (PubChem CID 117052148) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine
PubChem CID117052148
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1OC(c1ccccn1)C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c1-10(19)11-6-2-3-8-13(11)21-14(15(16,17)18)12-7-4-5-9-20-12/h2-10,14H,19H2,1H3
InChIKeyFISQTCUGLGPZJH-UHFFFAOYSA-N
XLogP3.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
CID 166470570
1-(2-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 63648828
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 55272660
(1R)-1-[2-[(6-pyridin-2-yl-3-pyridinyl)oxy]phenyl]ethanamine
CID 175227124
(1R)-1-(2-trimethylsilyloxyphenyl)ethanamine
CID 167729285
pyridine;1-pyridin-2-ylethanamine
CID 159737903
3,3,3-trifluoro-2-pyridin-2-ylpropanamide
CID 174447442
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine (CID 117052148) is 1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine is CC(N)c1ccccc1OC(c1ccccn1)C(F)(F)F.
What is the InChIKey of 1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine?
The InChIKey is FISQTCUGLGPZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-10(19)11-6-2-3-8-13(11)21-14(15(16,17)18)12-7-4-5-9-20-12/h2-10,14H,19H2,1H3.
What are the key properties of 1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine?
1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine has a molecular weight of 296.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 117052148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).