3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine

C17H17BrClNO — CID 79459725

IUPAC3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine
SMILESClc1cccc(C2(CCOc3cccc(Br)c3)CNC2)c1
InChIInChI=1S/C17H17BrClNO/c18-14-4-2-6-16(10-14)21-8-7-17(11-20-12-17)13-3-1-5-15(19)9-13/h1-6,9-10,20H,7-8,11-12H2
InChIKeyDYBCIGKBNFKBCG-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.41
Rot. Bonds5

About 3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine

3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine (PubChem CID 79459725) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine.

Molecular Properties

Compound Name3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine
PubChem CID79459725
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine
SMILESClc1cccc(C2(CCOc3cccc(Br)c3)CNC2)c1
InChIInChI=1S/C17H17BrClNO/c18-14-4-2-6-16(10-14)21-8-7-17(11-20-12-17)13-3-1-5-15(19)9-13/h1-6,9-10,20H,7-8,11-12H2
InChIKeyDYBCIGKBNFKBCG-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine
CID 79451771
3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine
CID 79451126
3-[(4-bromothiophen-2-yl)methyl]-3-(3-chlorophenyl)azetidine
CID 79460593
3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 79459620
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 106273183
1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine
CID 80603583
1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
CID 28918025
4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019208
3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine
CID 106735006
3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine
CID 79451136
2-[3-(3-chlorophenyl)azepan-3-yl]ethanol
CID 19418633
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine?
The IUPAC name of 3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine (CID 79459725) is 3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine.
What is the SMILES notation for 3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine?
The canonical SMILES for 3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine is Clc1cccc(C2(CCOc3cccc(Br)c3)CNC2)c1.
What is the InChIKey of 3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine?
The InChIKey is DYBCIGKBNFKBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c18-14-4-2-6-16(10-14)21-8-7-17(11-20-12-17)13-3-1-5-15(19)9-13/h1-6,9-10,20H,7-8,11-12H2.
What are the key properties of 3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine?
3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine has a molecular weight of 366.69 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine is sourced from PubChem (CID 79459725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).