Metaraminol

C₉H₁₃NO₂ — CID 5906

About Metaraminol

Metaraminol (PubChem CID 5906) has the molecular formula C₉H₁₃NO₂ and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol.

Molecular Properties

• Compound Name: Metaraminol
• PubChem CID: 5906
• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.21 g/mol
• Exact Mass: 167.09
• IUPAC Name: 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol
• SMILES: C[C@H](N)[C@H](O)c1cccc(O)c1
• InChI: InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1
• InChIKey: WXFIGDLSSYIKKV-RCOVLWMOSA-N
• XLogP: 0.77
• TPSA: 66.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.21
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Metaraminol?

The IUPAC name of Metaraminol (CID 5906) is 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol.

What is the SMILES notation for Metaraminol?

The canonical SMILES for Metaraminol is C[C@H](N)[C@H](O)c1cccc(O)c1.

What is the InChIKey of Metaraminol?

The InChIKey is WXFIGDLSSYIKKV-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1.

What are the key properties of Metaraminol?

Metaraminol has a molecular weight of 167.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Metaraminol is sourced from PubChem (CID 5906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5906 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1721 — approved-drug record (CC BY-SA 4.0)

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