2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine

C11H21F3N2O — CID 55241276

IUPAC2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
SMILESCNCC1(CN(C)CC(F)(F)F)CCCOC1
InChIInChI=1S/C11H21F3N2O/c1-15-6-10(4-3-5-17-9-10)7-16(2)8-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyZHCVRBMRWKGYCW-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds5

About 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine (PubChem CID 55241276) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
PubChem CID55241276
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
SMILESCNCC1(CN(C)CC(F)(F)F)CCCOC1
InChIInChI=1S/C11H21F3N2O/c1-15-6-10(4-3-5-17-9-10)7-16(2)8-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyZHCVRBMRWKGYCW-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine (CID 55241276) is 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine is CNCC1(CN(C)CC(F)(F)F)CCCOC1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine?
The InChIKey is ZHCVRBMRWKGYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-15-6-10(4-3-5-17-9-10)7-16(2)8-11(12,13)14/h15H,3-9H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 55241276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).