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

C11H21F3N2O — CID 102656855

IUPACN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CCOC1(C)CNC1)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-3-4-16(9-11(12,13)14)5-6-17-10(2)7-15-8-10/h15H,3-9H2,1-2H3
InChIKeyAUAQMENBDJJPFJ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds7

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

N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 102656855) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID102656855
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CCOC1(C)CNC1)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-3-4-16(9-11(12,13)14)5-6-17-10(2)7-15-8-10/h15H,3-9H2,1-2H3
InChIKeyAUAQMENBDJJPFJ-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 102656855) is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CCOC1(C)CNC1)CC(F)(F)F.
What is the InChIKey of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is AUAQMENBDJJPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-4-16(9-11(12,13)14)5-6-17-10(2)7-15-8-10/h15H,3-9H2,1-2H3.
What are the key properties of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 102656855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).