1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine

C15H21F3N2O2 — CID 126822315

IUPAC1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine
SMILESCC(NCc1ccc(OCC(F)(F)F)nc1)C1CCCCO1
InChIInChI=1S/C15H21F3N2O2/c1-11(13-4-2-3-7-21-13)19-8-12-5-6-14(20-9-12)22-10-15(16,17)18/h5-6,9,11,13,19H,2-4,7-8,10H2,1H3
InChIKeyVLVBGPLADPKEBP-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.07
Rot. Bonds6

About 1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine

1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 126822315) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID126822315
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine
SMILESCC(NCc1ccc(OCC(F)(F)F)nc1)C1CCCCO1
InChIInChI=1S/C15H21F3N2O2/c1-11(13-4-2-3-7-21-13)19-8-12-5-6-14(20-9-12)22-10-15(16,17)18/h5-6,9,11,13,19H,2-4,7-8,10H2,1H3
InChIKeyVLVBGPLADPKEBP-UHFFFAOYSA-N
XLogP3.07
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of 1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine (CID 126822315) is 1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for 1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine is CC(NCc1ccc(OCC(F)(F)F)nc1)C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is VLVBGPLADPKEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-11(13-4-2-3-7-21-13)19-8-12-5-6-14(20-9-12)22-10-15(16,17)18/h5-6,9,11,13,19H,2-4,7-8,10H2,1H3.
What are the key properties of 1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine?
1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 318.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 126822315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).