N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine

C₁₆H₂₅FN₂O₂ — CID 105391510

About N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine

N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105391510) has the molecular formula C₁₆H₂₅FN₂O₂ and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
• PubChem CID: 105391510
• Molecular Formula: C₁₆H₂₅FN₂O₂
• Molecular Weight: 296.39 g/mol
• Exact Mass: 296.19
• IUPAC Name: N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
• SMILES: CCCNCc1ccnc(OC2CCCC(OC)C2)c1F
• InChI: InChI=1S/C16H25FN2O2/c1-3-8-18-11-12-7-9-19-16(15(12)17)21-14-6-4-5-13(10-14)20-2/h7,9,13-14,18H,3-6,8,10-11H2,1-2H3
• InChIKey: TUUASTCRSYCQEB-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 43.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.39
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine?

The IUPAC name of N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine (CID 105391510) is N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine.

What is the SMILES notation for N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine?

The canonical SMILES for N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(OC2CCCC(OC)C2)c1F.

What is the InChIKey of N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine?

The InChIKey is TUUASTCRSYCQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-3-8-18-11-12-7-9-19-16(15(12)17)21-14-6-4-5-13(10-14)20-2/h7,9,13-14,18H,3-6,8,10-11H2,1-2H3.

What are the key properties of N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine?

N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 296.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105391510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105391510 — identifiers, structure, computed properties (public domain)

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