2-[(3-chlorophenyl)methoxymethyl]azetidine

C11H14ClNO — CID 115070958

IUPAC2-[(3-chlorophenyl)methoxymethyl]azetidine
SMILESClc1cccc(COCC2CCN2)c1
InChIInChI=1S/C11H14ClNO/c12-10-3-1-2-9(6-10)7-14-8-11-4-5-13-11/h1-3,6,11,13H,4-5,7-8H2
InChIKeyJFJFCQVCPBHBHE-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.22
Rot. Bonds4

About 2-[(3-chlorophenyl)methoxymethyl]azetidine

2-[(3-chlorophenyl)methoxymethyl]azetidine (PubChem CID 115070958) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxymethyl]azetidine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxymethyl]azetidine
PubChem CID115070958
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-[(3-chlorophenyl)methoxymethyl]azetidine
SMILESClc1cccc(COCC2CCN2)c1
InChIInChI=1S/C11H14ClNO/c12-10-3-1-2-9(6-10)7-14-8-11-4-5-13-11/h1-3,6,11,13H,4-5,7-8H2
InChIKeyJFJFCQVCPBHBHE-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxymethyl]azetidine?
The IUPAC name of 2-[(3-chlorophenyl)methoxymethyl]azetidine (CID 115070958) is 2-[(3-chlorophenyl)methoxymethyl]azetidine.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxymethyl]azetidine?
The canonical SMILES for 2-[(3-chlorophenyl)methoxymethyl]azetidine is Clc1cccc(COCC2CCN2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxymethyl]azetidine?
The InChIKey is JFJFCQVCPBHBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-10-3-1-2-9(6-10)7-14-8-11-4-5-13-11/h1-3,6,11,13H,4-5,7-8H2.
What are the key properties of 2-[(3-chlorophenyl)methoxymethyl]azetidine?
2-[(3-chlorophenyl)methoxymethyl]azetidine has a molecular weight of 211.69 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxymethyl]azetidine is sourced from PubChem (CID 115070958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).