3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine

C19H23N — CID 79460651

IUPAC3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine
SMILESCc1ccc(C)c(CC2(c3ccccc3C)CNC2)c1
InChIInChI=1S/C19H23N/c1-14-8-9-15(2)17(10-14)11-19(12-20-13-19)18-7-5-4-6-16(18)3/h4-10,20H,11-13H2,1-3H3
InChIKeyUHEHONUJIYUGAW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.70
Rot. Bonds3

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

3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine (PubChem CID 79460651) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine
PubChem CID79460651
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine
SMILESCc1ccc(C)c(CC2(c3ccccc3C)CNC2)c1
InChIInChI=1S/C19H23N/c1-14-8-9-15(2)17(10-14)11-19(12-20-13-19)18-7-5-4-6-16(18)3/h4-10,20H,11-13H2,1-3H3
InChIKeyUHEHONUJIYUGAW-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine
CID 79460505
3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine
CID 79451683
3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine
CID 79460359
6-[(2,5-dimethylphenyl)methyl]-6-methyl-1,4-diazepane
CID 82475397
3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine
CID 79460872
3-(furan-2-ylmethyl)-3-(2-methylphenyl)azetidine
CID 79459959
3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine
CID 79459681
3-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylphenyl)azetidine
CID 79460256
3-[(3-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)azetidine
CID 79711492
5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
CID 112645464
3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine
CID 82934699
2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
CID 79460257

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine?
The IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine (CID 79460651) is 3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine is Cc1ccc(C)c(CC2(c3ccccc3C)CNC2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine?
The InChIKey is UHEHONUJIYUGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-14-8-9-15(2)17(10-14)11-19(12-20-13-19)18-7-5-4-6-16(18)3/h4-10,20H,11-13H2,1-3H3.
What are the key properties of 3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine?
3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine has a molecular weight of 265.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine is sourced from PubChem (CID 79460651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).