3-methyl-3-(phenylmethoxymethoxy)azetidine

C12H17NO2 — CID 106938741

IUPAC3-methyl-3-(phenylmethoxymethoxy)azetidine
SMILESCC1(OCOCc2ccccc2)CNC1
InChIInChI=1S/C12H17NO2/c1-12(8-13-9-12)15-10-14-7-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKeyZNVAMIIWYNZDOS-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.54
Rot. Bonds5

About 3-methyl-3-(phenylmethoxymethoxy)azetidine

3-methyl-3-(phenylmethoxymethoxy)azetidine (PubChem CID 106938741) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-methyl-3-(phenylmethoxymethoxy)azetidine.

Molecular Properties

Compound Name3-methyl-3-(phenylmethoxymethoxy)azetidine
PubChem CID106938741
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-methyl-3-(phenylmethoxymethoxy)azetidine
SMILESCC1(OCOCc2ccccc2)CNC1
InChIInChI=1S/C12H17NO2/c1-12(8-13-9-12)15-10-14-7-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKeyZNVAMIIWYNZDOS-UHFFFAOYSA-N
XLogP1.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(phenylmethoxymethoxy)azetidine?
The IUPAC name of 3-methyl-3-(phenylmethoxymethoxy)azetidine (CID 106938741) is 3-methyl-3-(phenylmethoxymethoxy)azetidine.
What is the SMILES notation for 3-methyl-3-(phenylmethoxymethoxy)azetidine?
The canonical SMILES for 3-methyl-3-(phenylmethoxymethoxy)azetidine is CC1(OCOCc2ccccc2)CNC1.
What is the InChIKey of 3-methyl-3-(phenylmethoxymethoxy)azetidine?
The InChIKey is ZNVAMIIWYNZDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(8-13-9-12)15-10-14-7-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3.
What are the key properties of 3-methyl-3-(phenylmethoxymethoxy)azetidine?
3-methyl-3-(phenylmethoxymethoxy)azetidine has a molecular weight of 207.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(phenylmethoxymethoxy)azetidine is sourced from PubChem (CID 106938741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).