3-benzyl-3-(4-methylphenyl)azetidine

C17H19N — CID 79452492

IUPAC3-benzyl-3-(4-methylphenyl)azetidine
SMILESCc1ccc(C2(Cc3ccccc3)CNC2)cc1
InChIInChI=1S/C17H19N/c1-14-7-9-16(10-8-14)17(12-18-13-17)11-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3
InChIKeyHZEOTQNVGVAYJO-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.08
Rot. Bonds3

About 3-benzyl-3-(4-methylphenyl)azetidine

3-benzyl-3-(4-methylphenyl)azetidine (PubChem CID 79452492) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-benzyl-3-(4-methylphenyl)azetidine.

Molecular Properties

Compound Name3-benzyl-3-(4-methylphenyl)azetidine
PubChem CID79452492
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name3-benzyl-3-(4-methylphenyl)azetidine
SMILESCc1ccc(C2(Cc3ccccc3)CNC2)cc1
InChIInChI=1S/C17H19N/c1-14-7-9-16(10-8-14)17(12-18-13-17)11-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3
InChIKeyHZEOTQNVGVAYJO-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine
CID 79451365
4-(3-benzylpyrrolidin-3-yl)-N-methylaniline;hydrochloride
CID 66866831
1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole
CID 79451774
3-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)azetidine
CID 79452497
3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine
CID 79451883
4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
CID 79451367
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine
CID 106931474
3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine
CID 79460170
3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79451271
3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine
CID 79459633
3-benzyl-3-[(2-chloro-4-methylphenyl)methyl]azetidine
CID 106870811

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-(4-methylphenyl)azetidine?
The IUPAC name of 3-benzyl-3-(4-methylphenyl)azetidine (CID 79452492) is 3-benzyl-3-(4-methylphenyl)azetidine.
What is the SMILES notation for 3-benzyl-3-(4-methylphenyl)azetidine?
The canonical SMILES for 3-benzyl-3-(4-methylphenyl)azetidine is Cc1ccc(C2(Cc3ccccc3)CNC2)cc1.
What is the InChIKey of 3-benzyl-3-(4-methylphenyl)azetidine?
The InChIKey is HZEOTQNVGVAYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-14-7-9-16(10-8-14)17(12-18-13-17)11-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3.
What are the key properties of 3-benzyl-3-(4-methylphenyl)azetidine?
3-benzyl-3-(4-methylphenyl)azetidine has a molecular weight of 237.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-(4-methylphenyl)azetidine is sourced from PubChem (CID 79452492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).