3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine

C17H17Cl2N — CID 79451201

IUPAC3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine
SMILESClc1ccc(CC2(Cc3ccccc3)CNC2)cc1Cl
InChIInChI=1S/C17H17Cl2N/c18-15-7-6-14(8-16(15)19)10-17(11-20-12-17)9-13-4-2-1-3-5-13/h1-8,20H,9-12H2
InChIKeyFPGJKCIRJBYKKC-UHFFFAOYSA-N
MW306.24 g/mol
LogP4.37
Rot. Bonds4

About 3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine

3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine (PubChem CID 79451201) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is 3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine
PubChem CID79451201
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine
SMILESClc1ccc(CC2(Cc3ccccc3)CNC2)cc1Cl
InChIInChI=1S/C17H17Cl2N/c18-15-7-6-14(8-16(15)19)10-17(11-20-12-17)9-13-4-2-1-3-5-13/h1-8,20H,9-12H2
InChIKeyFPGJKCIRJBYKKC-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine with MolForge

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

Launch Full Analysis

Related Compounds

3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
3-[(3,4-dichlorophenyl)methyl]-3-propylazetidine
CID 79451841
3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine
CID 79459812
3-benzyl-3-[(2-chloro-4-methylphenyl)methyl]azetidine
CID 106870811
1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66033323
3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine
CID 114935042
3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine
CID 115984672
5,5-dibenzyl-1,3-diazinan-2-one
CID 10978856
3-benzyl-3-[(3-bromo-5-fluorophenyl)methyl]azetidine
CID 79711007
3-(3,4-dichlorophenyl)-3-phenylmethoxyazetidine
CID 71727986
3-benzyl-3-butylazetidine
CID 79451820
3-[(4-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
CID 107898550

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine?
The IUPAC name of 3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine (CID 79451201) is 3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine.
What is the SMILES notation for 3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine?
The canonical SMILES for 3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine is Clc1ccc(CC2(Cc3ccccc3)CNC2)cc1Cl.
What is the InChIKey of 3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine?
The InChIKey is FPGJKCIRJBYKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N/c18-15-7-6-14(8-16(15)19)10-17(11-20-12-17)9-13-4-2-1-3-5-13/h1-8,20H,9-12H2.
What are the key properties of 3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine?
3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine has a molecular weight of 306.24 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine is sourced from PubChem (CID 79451201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).