3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine

C16H23NO — CID 79459804

IUPAC3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine
SMILESCc1cccc(C2(CC3CCOCC3)CNC2)c1
InChIInChI=1S/C16H23NO/c1-13-3-2-4-15(9-13)16(11-17-12-16)10-14-5-7-18-8-6-14/h2-4,9,14,17H,5-8,10-12H2,1H3
InChIKeyQURKBEIXABEEAM-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.65
Rot. Bonds3

About 3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine

3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine (PubChem CID 79459804) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine.

Molecular Properties

Compound Name3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine
PubChem CID79459804
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine
SMILESCc1cccc(C2(CC3CCOCC3)CNC2)c1
InChIInChI=1S/C16H23NO/c1-13-3-2-4-15(9-13)16(11-17-12-16)10-14-5-7-18-8-6-14/h2-4,9,14,17H,5-8,10-12H2,1H3
InChIKeyQURKBEIXABEEAM-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine?
The IUPAC name of 3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine (CID 79459804) is 3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine.
What is the SMILES notation for 3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine?
The canonical SMILES for 3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine is Cc1cccc(C2(CC3CCOCC3)CNC2)c1.
What is the InChIKey of 3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine?
The InChIKey is QURKBEIXABEEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-3-2-4-15(9-13)16(11-17-12-16)10-14-5-7-18-8-6-14/h2-4,9,14,17H,5-8,10-12H2,1H3.
What are the key properties of 3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine?
3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine has a molecular weight of 245.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine is sourced from PubChem (CID 79459804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).