(4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride

C₁₂H₁₆ClNO — CID 155943666

About (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride

(4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride (PubChem CID 155943666) has the molecular formula C₁₂H₁₆ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride.

Molecular Properties

• Compound Name: (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride
• PubChem CID: 155943666
• Molecular Formula: C₁₂H₁₆ClNO
• Molecular Weight: 225.72 g/mol
• Exact Mass: 225.09
• IUPAC Name: (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride
• SMILES: Cl.NCC12CC(c3ccccc3)(CO1)C2
• InChI: InChI=1S/C12H15NO.ClH/c13-8-12-6-11(7-12,9-14-12)10-4-2-1-3-5-10;/h1-5H,6-9,13H2;1H
• InChIKey: ULIVTKOVRZEWMC-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.72
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride?

The IUPAC name of (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride (CID 155943666) is (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride.

What is the SMILES notation for (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride?

The canonical SMILES for (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride is Cl.NCC12CC(c3ccccc3)(CO1)C2.

What is the InChIKey of (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride?

The InChIKey is ULIVTKOVRZEWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c13-8-12-6-11(7-12,9-14-12)10-4-2-1-3-5-10;/h1-5H,6-9,13H2;1H.

What are the key properties of (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride?

(4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 155943666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155943666 — identifiers, structure, computed properties (public domain)

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