3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride

C18H19ClF3NO2 — CID 67347792

IUPAC3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride
SMILESCC(Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1ccccc1.Cl
InChIInChI=1S/C18H18F3NO2.ClH/c1-12(13-5-3-2-4-6-13)23-16-8-7-14(18(19,20)21)9-17(16)24-15-10-22-11-15;/h2-9,12,15,22H,10-11H2,1H3;1H
InChIKeyAYRBOGDXGSNAFF-UHFFFAOYSA-N
MW373.80 g/mol
LogP4.62
Rot. Bonds5

About 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride

3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride (PubChem CID 67347792) has the molecular formula C18H19ClF3NO2 and a molecular weight of 373.80 g/mol. Its IUPAC name is 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride
PubChem CID67347792
Molecular FormulaC18H19ClF3NO2
Molecular Weight373.80 g/mol
Exact Mass373.11
IUPAC Name3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride
SMILESCC(Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1ccccc1.Cl
InChIInChI=1S/C18H18F3NO2.ClH/c1-12(13-5-3-2-4-6-13)23-16-8-7-14(18(19,20)21)9-17(16)24-15-10-22-11-15;/h2-9,12,15,22H,10-11H2,1H3;1H
InChIKeyAYRBOGDXGSNAFF-UHFFFAOYSA-N
XLogP4.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bevantolol Hydrochloride
CID 39324
Benzenepropanamine, gamma-(2-methoxyphenoxy)-N-methyl-, hydrochloride (1:1)
CID 134453
[2-(Chroman-8-yloxy)-ethyl]-[4-(4-methoxy-phenyl)-butyl]-amine
CID 10522191
2-Propanol, 1-((3,4-dimethoxyphenethyl)amino)-3-phenoxy-, monohydrochloride
CID 3047372
[2-(5-Fluoro-chroman-8-yloxy)-ethyl]-[4-(4-methoxy-phenyl)-butyl]-amine
CID 9976625
[2-(6-Fluoro-2H-chromen-8-yloxy)-ethyl]-[4-(4-methoxy-phenyl)-butyl]-amine
CID 10737977
[2-(6-Fluoro-2,2-dimethyl-chroman-8-yloxy)-ethyl]-[4-(4-methoxy-phenyl)-butyl]-amine
CID 10739820
[2-(6-Fluoro-2-methyl-chroman-8-yloxy)-ethyl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 10760924
[2-(6-Fluoro-2-methyl-chroman-8-yloxy)-ethyl]-[4-(4-methoxy-phenyl)-butyl]-amine
CID 10762810
[2-(7-Fluoro-chroman-8-yloxy)-ethyl]-[4-(4-methoxy-phenyl)-butyl]-amine
CID 10809366
[2-(6-Fluoro-chroman-8-yloxy)-ethyl]-[4-(4-methoxy-phenyl)-butyl]-amine
CID 11740080
N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine
CID 52943356

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride?
The IUPAC name of 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride (CID 67347792) is 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride.
What is the SMILES notation for 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride?
The canonical SMILES for 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride is CC(Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1ccccc1.Cl.
What is the InChIKey of 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride?
The InChIKey is AYRBOGDXGSNAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2.ClH/c1-12(13-5-3-2-4-6-13)23-16-8-7-14(18(19,20)21)9-17(16)24-15-10-22-11-15;/h2-9,12,15,22H,10-11H2,1H3;1H.
What are the key properties of 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride?
3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride has a molecular weight of 373.80 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride is sourced from PubChem (CID 67347792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).