3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine

C17H15Cl4NO — CID 118706043

IUPAC3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine
SMILESClc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C17H15Cl4NO/c18-13-3-1-11(6-15(13)20)17(5-10-8-22-9-10)23-12-2-4-14(19)16(21)7-12/h1-4,6-7,10,17,22H,5,8-9H2
InChIKeySVQJWGJWTNGCQH-UHFFFAOYSA-N
MW391.13 g/mol
LogP6.03
Rot. Bonds5

About 3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine

3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine (PubChem CID 118706043) has the molecular formula C17H15Cl4NO and a molecular weight of 391.13 g/mol. Its IUPAC name is 3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine
PubChem CID118706043
Molecular FormulaC17H15Cl4NO
Molecular Weight391.13 g/mol
Exact Mass388.99
IUPAC Name3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine
SMILESClc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C17H15Cl4NO/c18-13-3-1-11(6-15(13)20)17(5-10-8-22-9-10)23-12-2-4-14(19)16(21)7-12/h1-4,6-7,10,17,22H,5,8-9H2
InChIKeySVQJWGJWTNGCQH-UHFFFAOYSA-N
XLogP6.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.13
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine 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

3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine
CID 78094523
3-[2-(4-chloro-3-fluorophenyl)-2-(2-fluorophenoxy)ethyl]azetidine
CID 118706538
3-[(3,4-dichlorophenoxy)methyl]azetidine
CID 71133730
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534233
3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine
CID 71516269
3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71516398
3-(3,4-dichlorophenyl)-3-(4-methoxyphenoxy)propanoic acid
CID 122508296
(3S)-3-(3,4-dichlorophenyl)-3-phenoxypropanoic acid
CID 145185611
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
CID 71515954
2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine
CID 55194152
3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
CID 71516267

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine?
The IUPAC name of 3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine (CID 118706043) is 3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine.
What is the SMILES notation for 3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine?
The canonical SMILES for 3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine is Clc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine?
The InChIKey is SVQJWGJWTNGCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl4NO/c18-13-3-1-11(6-15(13)20)17(5-10-8-22-9-10)23-12-2-4-14(19)16(21)7-12/h1-4,6-7,10,17,22H,5,8-9H2.
What are the key properties of 3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine?
3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine has a molecular weight of 391.13 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dichlorophenoxy)-2-(3,4-dichlorophenyl)ethyl]azetidine is sourced from PubChem (CID 118706043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).