3-[(2,6-dichlorophenyl)methyl]azetidine

C10H11Cl2N — CID 16780191

IUPAC3-[(2,6-dichlorophenyl)methyl]azetidine
SMILESClc1cccc(Cl)c1CC1CNC1
InChIInChI=1S/C10H11Cl2N/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-7/h1-3,7,13H,4-6H2
InChIKeyPBXBJFQQDWTBIH-UHFFFAOYSA-N
MW216.11 g/mol
LogP2.76
Rot. Bonds2

About 3-[(2,6-dichlorophenyl)methyl]azetidine

3-[(2,6-dichlorophenyl)methyl]azetidine (PubChem CID 16780191) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]azetidine
PubChem CID16780191
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name3-[(2,6-dichlorophenyl)methyl]azetidine
SMILESClc1cccc(Cl)c1CC1CNC1
InChIInChI=1S/C10H11Cl2N/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-7/h1-3,7,13H,4-6H2
InChIKeyPBXBJFQQDWTBIH-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride
CID 54596092
4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 71165661
3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine
CID 130901330
1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025336
(3aS,6aR)-5-[(2,6-dichlorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042182
1-chloro-3-[(2,6-dichlorophenyl)methyl]cycloheptane
CID 64509532
N-[(2,6-dichlorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66182519
7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84633339
3-benzylazetidine;hydrochloride
CID 54592835
1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 66202514
2-(azetidin-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 65469553
N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 122150367

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]azetidine?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]azetidine (CID 16780191) is 3-[(2,6-dichlorophenyl)methyl]azetidine.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]azetidine?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]azetidine is Clc1cccc(Cl)c1CC1CNC1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]azetidine?
The InChIKey is PBXBJFQQDWTBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-7/h1-3,7,13H,4-6H2.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]azetidine?
3-[(2,6-dichlorophenyl)methyl]azetidine has a molecular weight of 216.11 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]azetidine is sourced from PubChem (CID 16780191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).