3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine

C13H19NO — CID 153490764

IUPAC3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine
SMILESCC(C)(C)OC1CN(c2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-13(2,3)15-12-9-14(10-12)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyWPOZYPXTCSKXED-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.69
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine

3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine (PubChem CID 153490764) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine
PubChem CID153490764
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine
SMILESCC(C)(C)OC1CN(c2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-13(2,3)15-12-9-14(10-12)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyWPOZYPXTCSKXED-UHFFFAOYSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine (CID 153490764) is 3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine is CC(C)(C)OC1CN(c2ccccc2)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine?
The InChIKey is WPOZYPXTCSKXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)15-12-9-14(10-12)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine?
3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine has a molecular weight of 205.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine is sourced from PubChem (CID 153490764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).