1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine

C₁₇H₁₅FN₂ — CID 63940931

About 1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine

1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine (PubChem CID 63940931) has the molecular formula C₁₇H₁₅FN₂ and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine
• PubChem CID: 63940931
• Molecular Formula: C₁₇H₁₅FN₂
• Molecular Weight: 266.32 g/mol
• Exact Mass: 266.12
• IUPAC Name: 1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine
• SMILES: CC(N)(c1ccc(F)cc1)c1cncc2ccccc12
• InChI: InChI=1S/C17H15FN2/c1-17(19,13-6-8-14(18)9-7-13)16-11-20-10-12-4-2-3-5-15(12)16/h2-11H,19H2,1H3
• InChIKey: IHNFOWQYVKOUAC-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 38.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.32
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine?

The IUPAC name of 1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine (CID 63940931) is 1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine.

What is the SMILES notation for 1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine?

The canonical SMILES for 1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine is CC(N)(c1ccc(F)cc1)c1cncc2ccccc12.

What is the InChIKey of 1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine?

The InChIKey is IHNFOWQYVKOUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-17(19,13-6-8-14(18)9-7-13)16-11-20-10-12-4-2-3-5-15(12)16/h2-11H,19H2,1H3.

What are the key properties of 1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine?

1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine has a molecular weight of 266.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine is sourced from PubChem (CID 63940931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63940931 — identifiers, structure, computed properties (public domain)

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