(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine

C₁₄H₂₃NO₂ — CID 2299919

About (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine

(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine (PubChem CID 2299919) has the molecular formula C₁₄H₂₃NO₂ and a molecular weight of 237.34 g/mol. Its IUPAC name is (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine.

Molecular Properties

• Compound Name: (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
• PubChem CID: 2299919
• Molecular Formula: C₁₄H₂₃NO₂
• Molecular Weight: 237.34 g/mol
• Exact Mass: 237.17
• IUPAC Name: (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
• SMILES: CC[C@@H](C)NCCOCCOc1ccccc1
• InChI: InChI=1S/C14H23NO2/c1-3-13(2)15-9-10-16-11-12-17-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3/t13-/m1/s1
• InChIKey: HMHVBPYEJFXKBX-CYBMUJFWSA-N
• XLogP: 2.47
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.34
LogP ≤ 5	2.47
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 (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine?

The IUPAC name of (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine (CID 2299919) is (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine.

What is the SMILES notation for (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine?

The canonical SMILES for (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine is CC[C@@H](C)NCCOCCOc1ccccc1.

What is the InChIKey of (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine?

The InChIKey is HMHVBPYEJFXKBX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-13(2)15-9-10-16-11-12-17-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3/t13-/m1/s1.

What are the key properties of (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine?

(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine is sourced from PubChem (CID 2299919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2299919 — identifiers, structure, computed properties (public domain)

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