1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

C13H17F3N2O — CID 75483307

IUPAC1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESCC(NCc1ncccc1C(F)(F)F)C1CCOC1
InChIInChI=1S/C13H17F3N2O/c1-9(10-4-6-19-8-10)18-7-12-11(13(14,15)16)3-2-5-17-12/h2-3,5,9-10,18H,4,6-8H2,1H3
InChIKeyHJWKJFRDUPEVBO-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.62
Rot. Bonds4

About 1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 75483307) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
PubChem CID75483307
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESCC(NCc1ncccc1C(F)(F)F)C1CCOC1
InChIInChI=1S/C13H17F3N2O/c1-9(10-4-6-19-8-10)18-7-12-11(13(14,15)16)3-2-5-17-12/h2-3,5,9-10,18H,4,6-8H2,1H3
InChIKeyHJWKJFRDUPEVBO-UHFFFAOYSA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113260159
1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103779552
1-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305633
N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655247
N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115916542
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
(3S)-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 124828974
N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 122139005
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655120
1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 115890011
N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655252

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (CID 75483307) is 1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is CC(NCc1ncccc1C(F)(F)F)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is HJWKJFRDUPEVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(10-4-6-19-8-10)18-7-12-11(13(14,15)16)3-2-5-17-12/h2-3,5,9-10,18H,4,6-8H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 274.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 75483307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).