N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C₁₁H₂₀F₃NO₂ — CID 114112890

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 114112890) has the molecular formula C₁₁H₂₀F₃NO₂ and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

• Compound Name: N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
• PubChem CID: 114112890
• Molecular Formula: C₁₁H₂₀F₃NO₂
• Molecular Weight: 255.28 g/mol
• Exact Mass: 255.14
• IUPAC Name: N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
• SMILES: COCCC1(CNCCOCC(F)(F)F)CC1
• InChI: InChI=1S/C11H20F3NO2/c1-16-6-4-10(2-3-10)8-15-5-7-17-9-11(12,13)14/h15H,2-9H2,1H3
• InChIKey: BCRNWIJAVTWBOW-UHFFFAOYSA-N
• XLogP: 1.97
• 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	255.28
LogP ≤ 5	1.97
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-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?

The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 114112890) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?

The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is COCCC1(CNCCOCC(F)(F)F)CC1.

What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?

The InChIKey is BCRNWIJAVTWBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-16-6-4-10(2-3-10)8-15-5-7-17-9-11(12,13)14/h15H,2-9H2,1H3.

What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 255.28 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 114112890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114112890 — identifiers, structure, computed properties (public domain)

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