3-benzyl-3-[(4-chlorophenyl)methyl]azetidine

C17H18ClN — CID 79451717

IUPAC3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
SMILESClc1ccc(CC2(Cc3ccccc3)CNC2)cc1
InChIInChI=1S/C17H18ClN/c18-16-8-6-15(7-9-16)11-17(12-19-13-17)10-14-4-2-1-3-5-14/h1-9,19H,10-13H2
InChIKeyTWVPULJQPNSKHP-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.71
Rot. Bonds4

About 3-benzyl-3-[(4-chlorophenyl)methyl]azetidine

3-benzyl-3-[(4-chlorophenyl)methyl]azetidine (PubChem CID 79451717) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-benzyl-3-[(4-chlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
PubChem CID79451717
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
SMILESClc1ccc(CC2(Cc3ccccc3)CNC2)cc1
InChIInChI=1S/C17H18ClN/c18-16-8-6-15(7-9-16)11-17(12-19-13-17)10-14-4-2-1-3-5-14/h1-9,19H,10-13H2
InChIKeyTWVPULJQPNSKHP-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-[(4-chlorophenyl)methyl]azetidine?
The IUPAC name of 3-benzyl-3-[(4-chlorophenyl)methyl]azetidine (CID 79451717) is 3-benzyl-3-[(4-chlorophenyl)methyl]azetidine.
What is the SMILES notation for 3-benzyl-3-[(4-chlorophenyl)methyl]azetidine?
The canonical SMILES for 3-benzyl-3-[(4-chlorophenyl)methyl]azetidine is Clc1ccc(CC2(Cc3ccccc3)CNC2)cc1.
What is the InChIKey of 3-benzyl-3-[(4-chlorophenyl)methyl]azetidine?
The InChIKey is TWVPULJQPNSKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c18-16-8-6-15(7-9-16)11-17(12-19-13-17)10-14-4-2-1-3-5-14/h1-9,19H,10-13H2.
What are the key properties of 3-benzyl-3-[(4-chlorophenyl)methyl]azetidine?
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine has a molecular weight of 271.79 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-[(4-chlorophenyl)methyl]azetidine is sourced from PubChem (CID 79451717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).