3-phenyl-3-propylazetidine

C12H17N — CID 23635

IUPAC3-phenyl-3-propylazetidine
SMILESCCCC1(c2ccccc2)CNC1
InChIInChI=1S/C12H17N/c1-2-8-12(9-13-10-12)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyCUKZGIUJLFWPNP-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.33
Rot. Bonds3

About 3-phenyl-3-propylazetidine

3-phenyl-3-propylazetidine (PubChem CID 23635) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-phenyl-3-propylazetidine.

Molecular Properties

Compound Name3-phenyl-3-propylazetidine
PubChem CID23635
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3-phenyl-3-propylazetidine
SMILESCCCC1(c2ccccc2)CNC1
InChIInChI=1S/C12H17N/c1-2-8-12(9-13-10-12)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyCUKZGIUJLFWPNP-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-propylazetidine?
The IUPAC name of 3-phenyl-3-propylazetidine (CID 23635) is 3-phenyl-3-propylazetidine.
What is the SMILES notation for 3-phenyl-3-propylazetidine?
The canonical SMILES for 3-phenyl-3-propylazetidine is CCCC1(c2ccccc2)CNC1.
What is the InChIKey of 3-phenyl-3-propylazetidine?
The InChIKey is CUKZGIUJLFWPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-8-12(9-13-10-12)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3.
What are the key properties of 3-phenyl-3-propylazetidine?
3-phenyl-3-propylazetidine has a molecular weight of 175.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-propylazetidine is sourced from PubChem (CID 23635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).