3-[(2-bromophenyl)methoxymethyl]azetidine

C11H14BrNO — CID 115070714

IUPAC3-[(2-bromophenyl)methoxymethyl]azetidine
SMILESBrc1ccccc1COCC1CNC1
InChIInChI=1S/C11H14BrNO/c12-11-4-2-1-3-10(11)8-14-7-9-5-13-6-9/h1-4,9,13H,5-8H2
InChIKeyYVQXGCCEQBJZJZ-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.19
Rot. Bonds4

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

3-[(2-bromophenyl)methoxymethyl]azetidine (PubChem CID 115070714) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxymethyl]azetidine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxymethyl]azetidine
PubChem CID115070714
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-[(2-bromophenyl)methoxymethyl]azetidine
SMILESBrc1ccccc1COCC1CNC1
InChIInChI=1S/C11H14BrNO/c12-11-4-2-1-3-10(11)8-14-7-9-5-13-6-9/h1-4,9,13H,5-8H2
InChIKeyYVQXGCCEQBJZJZ-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxymethyl]azetidine?
The IUPAC name of 3-[(2-bromophenyl)methoxymethyl]azetidine (CID 115070714) is 3-[(2-bromophenyl)methoxymethyl]azetidine.
What is the SMILES notation for 3-[(2-bromophenyl)methoxymethyl]azetidine?
The canonical SMILES for 3-[(2-bromophenyl)methoxymethyl]azetidine is Brc1ccccc1COCC1CNC1.
What is the InChIKey of 3-[(2-bromophenyl)methoxymethyl]azetidine?
The InChIKey is YVQXGCCEQBJZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-11-4-2-1-3-10(11)8-14-7-9-5-13-6-9/h1-4,9,13H,5-8H2.
What are the key properties of 3-[(2-bromophenyl)methoxymethyl]azetidine?
3-[(2-bromophenyl)methoxymethyl]azetidine has a molecular weight of 256.14 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxymethyl]azetidine is sourced from PubChem (CID 115070714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).