3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine

C10H19F3N2O — CID 102656974

IUPAC3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
SMILESCN(CCOC1(C)CNC1)CCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(7-14-8-9)16-6-5-15(2)4-3-10(11,12)13/h14H,3-8H2,1-2H3
InChIKeyIRMBAVMCBXPDCN-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds6

About 3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine

3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine (PubChem CID 102656974) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
PubChem CID102656974
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
SMILESCN(CCOC1(C)CNC1)CCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(7-14-8-9)16-6-5-15(2)4-3-10(11,12)13/h14H,3-8H2,1-2H3
InChIKeyIRMBAVMCBXPDCN-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine (CID 102656974) is 3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine is CN(CCOC1(C)CNC1)CCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine?
The InChIKey is IRMBAVMCBXPDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(7-14-8-9)16-6-5-15(2)4-3-10(11,12)13/h14H,3-8H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine?
3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine is sourced from PubChem (CID 102656974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).