3-[4-(4-methylphenyl)phenyl]azetidine

C16H17N — CID 154791478

IUPAC3-[4-(4-methylphenyl)phenyl]azetidine
SMILESCc1ccc(-c2ccc(C3CNC3)cc2)cc1
InChIInChI=1S/C16H17N/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17-11-16/h2-9,16-17H,10-11H2,1H3
InChIKeyMHMSDGQQCZNSAA-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.35
Rot. Bonds2

About 3-[4-(4-methylphenyl)phenyl]azetidine

3-[4-(4-methylphenyl)phenyl]azetidine (PubChem CID 154791478) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)phenyl]azetidine.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)phenyl]azetidine
PubChem CID154791478
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name3-[4-(4-methylphenyl)phenyl]azetidine
SMILESCc1ccc(-c2ccc(C3CNC3)cc2)cc1
InChIInChI=1S/C16H17N/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17-11-16/h2-9,16-17H,10-11H2,1H3
InChIKeyMHMSDGQQCZNSAA-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)phenyl]azetidine?
The IUPAC name of 3-[4-(4-methylphenyl)phenyl]azetidine (CID 154791478) is 3-[4-(4-methylphenyl)phenyl]azetidine.
What is the SMILES notation for 3-[4-(4-methylphenyl)phenyl]azetidine?
The canonical SMILES for 3-[4-(4-methylphenyl)phenyl]azetidine is Cc1ccc(-c2ccc(C3CNC3)cc2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)phenyl]azetidine?
The InChIKey is MHMSDGQQCZNSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17-11-16/h2-9,16-17H,10-11H2,1H3.
What are the key properties of 3-[4-(4-methylphenyl)phenyl]azetidine?
3-[4-(4-methylphenyl)phenyl]azetidine has a molecular weight of 223.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)phenyl]azetidine is sourced from PubChem (CID 154791478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).