Phenylethanolamine

C₈H₁₁NO — CID 1000

About Phenylethanolamine

Phenylethanolamine (PubChem CID 1000) has the molecular formula C₈H₁₁NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-amino-1-phenylethanol.

Molecular Properties

• Compound Name: Phenylethanolamine
• PubChem CID: 1000
• Molecular Formula: C₈H₁₁NO
• Molecular Weight: 137.18 g/mol
• Exact Mass: 137.08
• IUPAC Name: 2-amino-1-phenylethanol
• SMILES: NCC(O)c1ccccc1
• InChI: InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
• InChIKey: ULSIYEODSMZIPX-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 46.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	137.18
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Phenylethanolamine?

The IUPAC name of Phenylethanolamine (CID 1000) is 2-amino-1-phenylethanol.

What is the SMILES notation for Phenylethanolamine?

The canonical SMILES for Phenylethanolamine is NCC(O)c1ccccc1.

What is the InChIKey of Phenylethanolamine?

The InChIKey is ULSIYEODSMZIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2.

What are the key properties of Phenylethanolamine?

Phenylethanolamine has a molecular weight of 137.18 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Phenylethanolamine is sourced from PubChem (CID 1000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 1000 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3460 — approved-drug record (CC BY-SA 4.0)

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