N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine

C10H19F3N2O — CID 102656851

IUPACN-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
SMILESCCN(CCOC1(C)CNC1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-3-15(8-10(11,12)13)4-5-16-9(2)6-14-7-9/h14H,3-8H2,1-2H3
InChIKeyPYMRPKJAKNLPKM-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds6

About N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine

N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine (PubChem CID 102656851) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
PubChem CID102656851
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
SMILESCCN(CCOC1(C)CNC1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-3-15(8-10(11,12)13)4-5-16-9(2)6-14-7-9/h14H,3-8H2,1-2H3
InChIKeyPYMRPKJAKNLPKM-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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Related Compounds

1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 62599025
3-Ethoxy-3-(trifluoromethyl)azetidine
CID 121203436
3-Propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 132101258
1-Tert-butyl-3-ethoxy-3-(trifluoromethyl)azetidine
CID 137536642
3,3-Difluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
CID 138607648
1-Ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 145394987
3-Ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 146303101
3-[(2-Methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine
CID 153420388
2-[2-(3,3-Difluoroazetidin-1-yl)ethyl]-2-methylmorpholine
CID 156700834
1-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-N-methylethanamine
CID 170104318
1-(2,2-Difluoroethyl)-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 172123298

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine (CID 102656851) is N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine is CCN(CCOC1(C)CNC1)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The InChIKey is PYMRPKJAKNLPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-3-15(8-10(11,12)13)4-5-16-9(2)6-14-7-9/h14H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine 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 N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine is sourced from PubChem (CID 102656851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).