3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine

C17H18ClN — CID 79460872

IUPAC3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine
SMILESCc1ccccc1C1(Cc2ccc(Cl)cc2)CNC1
InChIInChI=1S/C17H18ClN/c1-13-4-2-3-5-16(13)17(11-19-12-17)10-14-6-8-15(18)9-7-14/h2-9,19H,10-12H2,1H3
InChIKeyGTFHIYNBEZOBDX-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.73
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine

3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine (PubChem CID 79460872) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine
PubChem CID79460872
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine
SMILESCc1ccccc1C1(Cc2ccc(Cl)cc2)CNC1
InChIInChI=1S/C17H18ClN/c1-13-4-2-3-5-16(13)17(11-19-12-17)10-14-6-8-15(18)9-7-14/h2-9,19H,10-12H2,1H3
InChIKeyGTFHIYNBEZOBDX-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)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-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine (CID 79460872) is 3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine is Cc1ccccc1C1(Cc2ccc(Cl)cc2)CNC1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine?
The InChIKey is GTFHIYNBEZOBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-13-4-2-3-5-16(13)17(11-19-12-17)10-14-6-8-15(18)9-7-14/h2-9,19H,10-12H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine?
3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine has a molecular weight of 271.79 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)azetidine is sourced from PubChem (CID 79460872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).