3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine

C17H18ClNO — CID 79460293

IUPAC3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
SMILESCOc1ccccc1CC1(c2cccc(Cl)c2)CNC1
InChIInChI=1S/C17H18ClNO/c1-20-16-8-3-2-5-13(16)10-17(11-19-12-17)14-6-4-7-15(18)9-14/h2-9,19H,10-12H2,1H3
InChIKeyPKRHZOXQNKRTAI-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.43
Rot. Bonds4

About 3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine

3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine (PubChem CID 79460293) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
PubChem CID79460293
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
SMILESCOc1ccccc1CC1(c2cccc(Cl)c2)CNC1
InChIInChI=1S/C17H18ClNO/c1-20-16-8-3-2-5-13(16)10-17(11-19-12-17)14-6-4-7-15(18)9-14/h2-9,19H,10-12H2,1H3
InChIKeyPKRHZOXQNKRTAI-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79459973
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine
CID 79461001
3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine
CID 79451831
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 106273183
3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine
CID 106735006
3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79460878
3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine
CID 103142953
3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine
CID 105376161

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine?
The IUPAC name of 3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine (CID 79460293) is 3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine.
What is the SMILES notation for 3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine?
The canonical SMILES for 3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine is COc1ccccc1CC1(c2cccc(Cl)c2)CNC1.
What is the InChIKey of 3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine?
The InChIKey is PKRHZOXQNKRTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-20-16-8-3-2-5-13(16)10-17(11-19-12-17)14-6-4-7-15(18)9-14/h2-9,19H,10-12H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine?
3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine has a molecular weight of 287.79 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine is sourced from PubChem (CID 79460293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).