N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine

C13H17F3N2O — CID 120857759

IUPACN-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine
SMILESCN(CCOc1ccc(C(F)(F)F)cc1)C1CNC1
InChIInChI=1S/C13H17F3N2O/c1-18(11-8-17-9-11)6-7-19-12-4-2-10(3-5-12)13(14,15)16/h2-5,11,17H,6-9H2,1H3
InChIKeyDBCCBZRMCUBGRF-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.99
Rot. Bonds5

About N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine

N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine (PubChem CID 120857759) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine
PubChem CID120857759
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine
SMILESCN(CCOc1ccc(C(F)(F)F)cc1)C1CNC1
InChIInChI=1S/C13H17F3N2O/c1-18(11-8-17-9-11)6-7-19-12-4-2-10(3-5-12)13(14,15)16/h2-5,11,17H,6-9H2,1H3
InChIKeyDBCCBZRMCUBGRF-UHFFFAOYSA-N
XLogP1.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine 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 N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine?
The IUPAC name of N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine (CID 120857759) is N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine.
What is the SMILES notation for N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine?
The canonical SMILES for N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine is CN(CCOc1ccc(C(F)(F)F)cc1)C1CNC1.
What is the InChIKey of N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine?
The InChIKey is DBCCBZRMCUBGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-18(11-8-17-9-11)6-7-19-12-4-2-10(3-5-12)13(14,15)16/h2-5,11,17H,6-9H2,1H3.
What are the key properties of N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine?
N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine is sourced from PubChem (CID 120857759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).