3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine

C19H23NO — CID 79459973

IUPAC3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine
SMILESCOc1ccc(C)cc1CC1(c2cccc(C)c2)CNC1
InChIInChI=1S/C19H23NO/c1-14-5-4-6-17(10-14)19(12-20-13-19)11-16-9-15(2)7-8-18(16)21-3/h4-10,20H,11-13H2,1-3H3
InChIKeyGSLLMUKKKBFUMF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.40
Rot. Bonds4

About 3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine

3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine (PubChem CID 79459973) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine.

Molecular Properties

Compound Name3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine
PubChem CID79459973
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine
SMILESCOc1ccc(C)cc1CC1(c2cccc(C)c2)CNC1
InChIInChI=1S/C19H23NO/c1-14-5-4-6-17(10-14)19(12-20-13-19)11-16-9-15(2)7-8-18(16)21-3/h4-10,20H,11-13H2,1-3H3
InChIKeyGSLLMUKKKBFUMF-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79460878
3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine
CID 79460270
3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 83823068
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
CID 66060007
3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine
CID 79461001
3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine
CID 79459975
3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine
CID 79459804
2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786
3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine
CID 79460651
(2-methoxy-5-methylphenyl)methyl-trimethylsilane
CID 141465677

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine?
The IUPAC name of 3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine (CID 79459973) is 3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine.
What is the SMILES notation for 3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine?
The canonical SMILES for 3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine is COc1ccc(C)cc1CC1(c2cccc(C)c2)CNC1.
What is the InChIKey of 3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine?
The InChIKey is GSLLMUKKKBFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-5-4-6-17(10-14)19(12-20-13-19)11-16-9-15(2)7-8-18(16)21-3/h4-10,20H,11-13H2,1-3H3.
What are the key properties of 3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine?
3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine has a molecular weight of 281.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine is sourced from PubChem (CID 79459973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).