3-(2-phenylethyl)morpholine

C₁₂H₁₇NO — CID 54013840

About 3-(2-phenylethyl)morpholine

3-(2-phenylethyl)morpholine (PubChem CID 54013840) has the molecular formula C₁₂H₁₇NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(2-phenylethyl)morpholine.

Molecular Properties

• Compound Name: 3-(2-phenylethyl)morpholine
• PubChem CID: 54013840
• Molecular Formula: C₁₂H₁₇NO
• Molecular Weight: 191.27 g/mol
• Exact Mass: 191.13
• IUPAC Name: 3-(2-phenylethyl)morpholine
• SMILES: c1ccc(CCC2COCCN2)cc1
• InChI: InChI=1S/C12H17NO/c1-2-4-11(5-3-1)6-7-12-10-14-9-8-13-12/h1-5,12-13H,6-10H2
• InChIKey: ZURODHAEBZHODQ-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	191.27
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)morpholine?

The IUPAC name of 3-(2-phenylethyl)morpholine (CID 54013840) is 3-(2-phenylethyl)morpholine.

What is the SMILES notation for 3-(2-phenylethyl)morpholine?

The canonical SMILES for 3-(2-phenylethyl)morpholine is c1ccc(CCC2COCCN2)cc1.

What is the InChIKey of 3-(2-phenylethyl)morpholine?

The InChIKey is ZURODHAEBZHODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-4-11(5-3-1)6-7-12-10-14-9-8-13-12/h1-5,12-13H,6-10H2.

What are the key properties of 3-(2-phenylethyl)morpholine?

3-(2-phenylethyl)morpholine has a molecular weight of 191.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-phenylethyl)morpholine is sourced from PubChem (CID 54013840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54013840 — identifiers, structure, computed properties (public domain)

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