3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine

C15H20ClNO — CID 103142953

IUPAC3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine
SMILESCC1CCC(CC2(c3cccc(Cl)c3)CNC2)O1
InChIInChI=1S/C15H20ClNO/c1-11-5-6-14(18-11)8-15(9-17-10-15)12-3-2-4-13(16)7-12/h2-4,7,11,14,17H,5-6,8-10H2,1H3
InChIKeyUIDMZSLOEFTSEJ-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.14
Rot. Bonds3

About 3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine

3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine (PubChem CID 103142953) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine
PubChem CID103142953
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine
SMILESCC1CCC(CC2(c3cccc(Cl)c3)CNC2)O1
InChIInChI=1S/C15H20ClNO/c1-11-5-6-14(18-11)8-15(9-17-10-15)12-3-2-4-13(16)7-12/h2-4,7,11,14,17H,5-6,8-10H2,1H3
InChIKeyUIDMZSLOEFTSEJ-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
CID 102902619
3-(4-chlorophenyl)-3-[(5,5-dimethyloxolan-2-yl)methyl]azetidine
CID 116525360
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine
CID 103142930
3-[(4-bromothiophen-2-yl)methyl]-3-(3-chlorophenyl)azetidine
CID 79460593
3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
CID 79460293
2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine
CID 117229091
3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine
CID 106735006
3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 79459620
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
CID 79460198
3-[(2-chloro-3-fluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 115984680
3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine
CID 79459804

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine?
The IUPAC name of 3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine (CID 103142953) is 3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine.
What is the SMILES notation for 3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine?
The canonical SMILES for 3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine is CC1CCC(CC2(c3cccc(Cl)c3)CNC2)O1.
What is the InChIKey of 3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine?
The InChIKey is UIDMZSLOEFTSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-11-5-6-14(18-11)8-15(9-17-10-15)12-3-2-4-13(16)7-12/h2-4,7,11,14,17H,5-6,8-10H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine?
3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine has a molecular weight of 265.78 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine is sourced from PubChem (CID 103142953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).