ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine

C16H25F3N2O — CID 172576226

IUPACethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine
SMILESCC.Cc1ccc(C2CCOC2)c(CN(C)CC(F)(F)F)n1
InChIInChI=1S/C14H19F3N2O.C2H6/c1-10-3-4-12(11-5-6-20-8-11)13(18-10)7-19(2)9-14(15,16)17;1-2/h3-4,11H,5-9H2,1-2H3;1-2H3
InChIKeyCRQXBKXLULKZBR-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.91
Rot. Bonds4

About ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine

ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 172576226) has the molecular formula C16H25F3N2O and a molecular weight of 318.38 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID172576226
Molecular FormulaC16H25F3N2O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC Nameethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine
SMILESCC.Cc1ccc(C2CCOC2)c(CN(C)CC(F)(F)F)n1
InChIInChI=1S/C14H19F3N2O.C2H6/c1-10-3-4-12(11-5-6-20-8-11)13(18-10)7-19(2)9-14(15,16)17;1-2/h3-4,11H,5-9H2,1-2H3;1-2H3
InChIKeyCRQXBKXLULKZBR-UHFFFAOYSA-N
XLogP3.91
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine (CID 172576226) is ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine is CC.Cc1ccc(C2CCOC2)c(CN(C)CC(F)(F)F)n1.
What is the InChIKey of ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is CRQXBKXLULKZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O.C2H6/c1-10-3-4-12(11-5-6-20-8-11)13(18-10)7-19(2)9-14(15,16)17;1-2/h3-4,11H,5-9H2,1-2H3;1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine?
ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 318.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 172576226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).