2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline

C₁₉H₁₅BrFNO — CID 156877235

About 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline

2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline (PubChem CID 156877235) has the molecular formula C₁₉H₁₅BrFNO and a molecular weight of 372.24 g/mol. Its IUPAC name is 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline.

Molecular Properties

• Compound Name: 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline
• PubChem CID: 156877235
• Molecular Formula: C₁₉H₁₅BrFNO
• Molecular Weight: 372.24 g/mol
• Exact Mass: 371.03
• IUPAC Name: 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline
• SMILES: Fc1ccc(Nc2ccc(OCc3ccccc3)cc2Br)cc1
• InChI: InChI=1S/C19H15BrFNO/c20-18-12-17(23-13-14-4-2-1-3-5-14)10-11-19(18)22-16-8-6-15(21)7-9-16/h1-12,22H,13H2
• InChIKey: LQDGRMRSNPSPCH-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.24
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline?

The IUPAC name of 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline (CID 156877235) is 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline.

What is the SMILES notation for 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline?

The canonical SMILES for 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline is Fc1ccc(Nc2ccc(OCc3ccccc3)cc2Br)cc1.

What is the InChIKey of 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline?

The InChIKey is LQDGRMRSNPSPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFNO/c20-18-12-17(23-13-14-4-2-1-3-5-14)10-11-19(18)22-16-8-6-15(21)7-9-16/h1-12,22H,13H2.

What are the key properties of 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline?

2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline has a molecular weight of 372.24 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline is sourced from PubChem (CID 156877235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156877235 — identifiers, structure, computed properties (public domain)

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