3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine

C17H17Cl2NO — CID 166114037

IUPAC3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine
SMILESClc1ccc(OCc2cccc(CC3CNC3)c2)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO/c18-15-4-5-17(16(19)8-15)21-11-13-3-1-2-12(6-13)7-14-9-20-10-14/h1-6,8,14,20H,7,9-11H2
InChIKeyKAHFUCDKSQTUDS-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.33
Rot. Bonds5

About 3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine

3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine (PubChem CID 166114037) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine.

Molecular Properties

Compound Name3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine
PubChem CID166114037
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine
SMILESClc1ccc(OCc2cccc(CC3CNC3)c2)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO/c18-15-4-5-17(16(19)8-15)21-11-13-3-1-2-12(6-13)7-14-9-20-10-14/h1-6,8,14,20H,7,9-11H2
InChIKeyKAHFUCDKSQTUDS-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496273
2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene
CID 155784427
1-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine
CID 175987694
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
3-[2-(2,4-dichlorophenoxy)ethylsulfanylmethyl]azetidine
CID 66289058
3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine
CID 58405228
5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154155
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405050
3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]azetidine
CID 46214825
[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]boronic acid;molecular hydrogen
CID 159390577

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine?
The IUPAC name of 3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine (CID 166114037) is 3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine.
What is the SMILES notation for 3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine?
The canonical SMILES for 3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine is Clc1ccc(OCc2cccc(CC3CNC3)c2)c(Cl)c1.
What is the InChIKey of 3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine?
The InChIKey is KAHFUCDKSQTUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-15-4-5-17(16(19)8-15)21-11-13-3-1-2-12(6-13)7-14-9-20-10-14/h1-6,8,14,20H,7,9-11H2.
What are the key properties of 3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine?
3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine has a molecular weight of 322.24 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine is sourced from PubChem (CID 166114037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).