N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine

C₁₇H₂₀FNO — CID 116773160

About N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine

N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine (PubChem CID 116773160) has the molecular formula C₁₇H₂₀FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine.

Molecular Properties

• Compound Name: N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine
• PubChem CID: 116773160
• Molecular Formula: C₁₇H₂₀FNO
• Molecular Weight: 273.35 g/mol
• Exact Mass: 273.15
• IUPAC Name: N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine
• SMILES: CCNC(c1ccccc1F)C(OC)c1ccccc1
• InChI: InChI=1S/C17H20FNO/c1-3-19-16(14-11-7-8-12-15(14)18)17(20-2)13-9-5-4-6-10-13/h4-12,16-17,19H,3H2,1-2H3
• InChIKey: ZWJADGQUIZHMGX-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.35
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine?

The IUPAC name of N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine (CID 116773160) is N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine.

What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine?

The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine is CCNC(c1ccccc1F)C(OC)c1ccccc1.

What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine?

The InChIKey is ZWJADGQUIZHMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-19-16(14-11-7-8-12-15(14)18)17(20-2)13-9-5-4-6-10-13/h4-12,16-17,19H,3H2,1-2H3.

What are the key properties of N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine?

N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine is sourced from PubChem (CID 116773160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116773160 — identifiers, structure, computed properties (public domain)

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