N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine

C₁₆H₂₇NO₂ — CID 2276712

About N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine

N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine (PubChem CID 2276712) has the molecular formula C₁₆H₂₇NO₂ and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine.

Molecular Properties

• Compound Name: N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine
• PubChem CID: 2276712
• Molecular Formula: C₁₆H₂₇NO₂
• Molecular Weight: 265.40 g/mol
• Exact Mass: 265.20
• IUPAC Name: N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine
• SMILES: CC(C)NCCOCCOc1ccc(C(C)C)cc1
• InChI: InChI=1S/C16H27NO2/c1-13(2)15-5-7-16(8-6-15)19-12-11-18-10-9-17-14(3)4/h5-8,13-14,17H,9-12H2,1-4H3
• InChIKey: AYQIJELFQBKLER-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.40
LogP ≤ 5	3.20
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 N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine?

The IUPAC name of N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine (CID 2276712) is N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine.

What is the SMILES notation for N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine?

The canonical SMILES for N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCOc1ccc(C(C)C)cc1.

What is the InChIKey of N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine?

The InChIKey is AYQIJELFQBKLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)15-5-7-16(8-6-15)19-12-11-18-10-9-17-14(3)4/h5-8,13-14,17H,9-12H2,1-4H3.

What are the key properties of N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine?

N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 2276712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2276712 — identifiers, structure, computed properties (public domain)

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