Pseudoephedrine

C₁₀H₁₅NO — CID 7028

About Pseudoephedrine

Pseudoephedrine (PubChem CID 7028) has the molecular formula C₁₀H₁₅NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol.

Molecular Properties

• Compound Name: Pseudoephedrine
• PubChem CID: 7028
• Molecular Formula: C₁₀H₁₅NO
• Molecular Weight: 165.24 g/mol
• Exact Mass: 165.12
• IUPAC Name: (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
• SMILES: CN[C@@H](C)[C@@H](O)c1ccccc1
• InChI: InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1
• InChIKey: KWGRBVOPPLSCSI-WCBMZHEXSA-N
• XLogP: 1.33
• TPSA: 32.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.24
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Pseudoephedrine?

The IUPAC name of Pseudoephedrine (CID 7028) is (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol.

What is the SMILES notation for Pseudoephedrine?

The canonical SMILES for Pseudoephedrine is CN[C@@H](C)[C@@H](O)c1ccccc1.

What is the InChIKey of Pseudoephedrine?

The InChIKey is KWGRBVOPPLSCSI-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1.

What are the key properties of Pseudoephedrine?

Pseudoephedrine has a molecular weight of 165.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Pseudoephedrine is sourced from PubChem (CID 7028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7028 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2326 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.