3-ethyl-3-phenylazetidine

C11H15N — CID 23634

IUPAC3-ethyl-3-phenylazetidine
SMILESCCC1(c2ccccc2)CNC1
InChIInChI=1S/C11H15N/c1-2-11(8-12-9-11)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKeyBGAVUZCQVCIEHP-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.94
Rot. Bonds2

About 3-ethyl-3-phenylazetidine

3-ethyl-3-phenylazetidine (PubChem CID 23634) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-ethyl-3-phenylazetidine.

Molecular Properties

Compound Name3-ethyl-3-phenylazetidine
PubChem CID23634
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-ethyl-3-phenylazetidine
SMILESCCC1(c2ccccc2)CNC1
InChIInChI=1S/C11H15N/c1-2-11(8-12-9-11)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKeyBGAVUZCQVCIEHP-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-phenylazetidine?
The IUPAC name of 3-ethyl-3-phenylazetidine (CID 23634) is 3-ethyl-3-phenylazetidine.
What is the SMILES notation for 3-ethyl-3-phenylazetidine?
The canonical SMILES for 3-ethyl-3-phenylazetidine is CCC1(c2ccccc2)CNC1.
What is the InChIKey of 3-ethyl-3-phenylazetidine?
The InChIKey is BGAVUZCQVCIEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-11(8-12-9-11)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3.
What are the key properties of 3-ethyl-3-phenylazetidine?
3-ethyl-3-phenylazetidine has a molecular weight of 161.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-phenylazetidine is sourced from PubChem (CID 23634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).