2-[4-(3-aminophenoxy)butoxy]aniline

C₁₆H₂₀N₂O₂ — CID 146356304

About 2-[4-(3-aminophenoxy)butoxy]aniline

2-[4-(3-aminophenoxy)butoxy]aniline (PubChem CID 146356304) has the molecular formula C₁₆H₂₀N₂O₂ and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(3-aminophenoxy)butoxy]aniline.

Molecular Properties

• Compound Name: 2-[4-(3-aminophenoxy)butoxy]aniline
• PubChem CID: 146356304
• Molecular Formula: C₁₆H₂₀N₂O₂
• Molecular Weight: 272.35 g/mol
• Exact Mass: 272.15
• IUPAC Name: 2-[4-(3-aminophenoxy)butoxy]aniline
• SMILES: Nc1cccc(OCCCCOc2ccccc2N)c1
• InChI: InChI=1S/C16H20N2O2/c17-13-6-5-7-14(12-13)19-10-3-4-11-20-16-9-2-1-8-15(16)18/h1-2,5-9,12H,3-4,10-11,17-18H2
• InChIKey: NOZYYNZNKXIFLK-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 70.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.35
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminophenoxy)butoxy]aniline?

The IUPAC name of 2-[4-(3-aminophenoxy)butoxy]aniline (CID 146356304) is 2-[4-(3-aminophenoxy)butoxy]aniline.

What is the SMILES notation for 2-[4-(3-aminophenoxy)butoxy]aniline?

The canonical SMILES for 2-[4-(3-aminophenoxy)butoxy]aniline is Nc1cccc(OCCCCOc2ccccc2N)c1.

What is the InChIKey of 2-[4-(3-aminophenoxy)butoxy]aniline?

The InChIKey is NOZYYNZNKXIFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-13-6-5-7-14(12-13)19-10-3-4-11-20-16-9-2-1-8-15(16)18/h1-2,5-9,12H,3-4,10-11,17-18H2.

What are the key properties of 2-[4-(3-aminophenoxy)butoxy]aniline?

2-[4-(3-aminophenoxy)butoxy]aniline has a molecular weight of 272.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-aminophenoxy)butoxy]aniline is sourced from PubChem (CID 146356304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146356304 — identifiers, structure, computed properties (public domain)

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