3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine

C11H13Cl2N — CID 130531127

IUPAC3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine
SMILESClCC1CN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C11H13Cl2N/c12-5-10-7-14(8-10)6-9-1-3-11(13)4-2-9/h1-4,10H,5-8H2
InChIKeyWIPQGBDYMCWNTD-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.01
Rot. Bonds3

About 3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine

3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine (PubChem CID 130531127) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine
PubChem CID130531127
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine
SMILESClCC1CN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C11H13Cl2N/c12-5-10-7-14(8-10)6-9-1-3-11(13)4-2-9/h1-4,10H,5-8H2
InChIKeyWIPQGBDYMCWNTD-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(chloromethyl)-1-[(4-chlorophenyl)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

1-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)azetidine
CID 130531144
3-[(4-chlorophenyl)methyl]-6-oxa-3-azabicyclo[3.1.0]hexane
CID 87480861
3-(2-chloroethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 114800668
1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 79992959
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
1-[(2-chloro-6-fluorophenyl)methyl]-3-(chloromethyl)azetidine
CID 130531122
3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane
CID 82023895
1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine
CID 20519775
3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 82023869
1-[(3-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388237
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole
CID 134073320

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine?
The IUPAC name of 3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine (CID 130531127) is 3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine.
What is the SMILES notation for 3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine?
The canonical SMILES for 3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine is ClCC1CN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine?
The InChIKey is WIPQGBDYMCWNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c12-5-10-7-14(8-10)6-9-1-3-11(13)4-2-9/h1-4,10H,5-8H2.
What are the key properties of 3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine?
3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine has a molecular weight of 230.14 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine is sourced from PubChem (CID 130531127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).