2-[3-ethoxypropyl(methyl)amino]phenol

C₁₂H₁₉NO₂ — CID 18006894

About 2-[3-ethoxypropyl(methyl)amino]phenol

2-[3-ethoxypropyl(methyl)amino]phenol (PubChem CID 18006894) has the molecular formula C₁₂H₁₉NO₂ and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[3-ethoxypropyl(methyl)amino]phenol.

Molecular Properties

• Compound Name: 2-[3-ethoxypropyl(methyl)amino]phenol
• PubChem CID: 18006894
• Molecular Formula: C₁₂H₁₉NO₂
• Molecular Weight: 209.29 g/mol
• Exact Mass: 209.14
• IUPAC Name: 2-[3-ethoxypropyl(methyl)amino]phenol
• SMILES: CCOCCCN(C)c1ccccc1O
• InChI: InChI=1S/C12H19NO2/c1-3-15-10-6-9-13(2)11-7-4-5-8-12(11)14/h4-5,7-8,14H,3,6,9-10H2,1-2H3
• InChIKey: HMYLHLICIDDMIM-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.29
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxypropyl(methyl)amino]phenol?

The IUPAC name of 2-[3-ethoxypropyl(methyl)amino]phenol (CID 18006894) is 2-[3-ethoxypropyl(methyl)amino]phenol.

What is the SMILES notation for 2-[3-ethoxypropyl(methyl)amino]phenol?

The canonical SMILES for 2-[3-ethoxypropyl(methyl)amino]phenol is CCOCCCN(C)c1ccccc1O.

What is the InChIKey of 2-[3-ethoxypropyl(methyl)amino]phenol?

The InChIKey is HMYLHLICIDDMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-15-10-6-9-13(2)11-7-4-5-8-12(11)14/h4-5,7-8,14H,3,6,9-10H2,1-2H3.

What are the key properties of 2-[3-ethoxypropyl(methyl)amino]phenol?

2-[3-ethoxypropyl(methyl)amino]phenol has a molecular weight of 209.29 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-ethoxypropyl(methyl)amino]phenol is sourced from PubChem (CID 18006894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18006894 — identifiers, structure, computed properties (public domain)

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