3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine

C14H18ClNO2 — CID 116870718

IUPAC3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine
SMILESCOc1cc(C)c(C2(C3CNC3)COC2)cc1Cl
InChIInChI=1S/C14H18ClNO2/c1-9-3-13(17-2)12(15)4-11(9)14(7-18-8-14)10-5-16-6-10/h3-4,10,16H,5-8H2,1-2H3
InChIKeyOHTIOSVHLVUZKD-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.14
Rot. Bonds3

About 3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine

3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine (PubChem CID 116870718) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine.

Molecular Properties

Compound Name3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine
PubChem CID116870718
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine
SMILESCOc1cc(C)c(C2(C3CNC3)COC2)cc1Cl
InChIInChI=1S/C14H18ClNO2/c1-9-3-13(17-2)12(15)4-11(9)14(7-18-8-14)10-5-16-6-10/h3-4,10,16H,5-8H2,1-2H3
InChIKeyOHTIOSVHLVUZKD-UHFFFAOYSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-4-methoxy-2-methylphenyl)oxetane-3-thiol
CID 116872868
3-(5-chloro-4-methoxy-2-methylphenyl)oxetane-3-carbaldehyde
CID 116872346
3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine
CID 116870765
[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol
CID 116829719
3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine
CID 116870769
3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
CID 82287742
3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]pyrrolidine
CID 116870863
3-chloro-3-(4-methoxy-2,5-dimethylphenyl)oxetane
CID 116876485
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871328
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine?
The IUPAC name of 3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine (CID 116870718) is 3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine.
What is the SMILES notation for 3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine?
The canonical SMILES for 3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine is COc1cc(C)c(C2(C3CNC3)COC2)cc1Cl.
What is the InChIKey of 3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine?
The InChIKey is OHTIOSVHLVUZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-3-13(17-2)12(15)4-11(9)14(7-18-8-14)10-5-16-6-10/h3-4,10,16H,5-8H2,1-2H3.
What are the key properties of 3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine?
3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine has a molecular weight of 267.76 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]azetidine is sourced from PubChem (CID 116870718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).