2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

C₁₅H₂₂BrNO — CID 65155737

About 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 65155737) has the molecular formula C₁₅H₂₂BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
• PubChem CID: 65155737
• Molecular Formula: C₁₅H₂₂BrNO
• Molecular Weight: 312.25 g/mol
• Exact Mass: 311.09
• IUPAC Name: 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
• SMILES: CC1OC(C)C(C(N)Cc2ccc(Br)cc2)C1C
• InChI: InChI=1S/C15H22BrNO/c1-9-10(2)18-11(3)15(9)14(17)8-12-4-6-13(16)7-5-12/h4-7,9-11,14-15H,8,17H2,1-3H3
• InChIKey: ACYAKKGSAVSHST-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.25
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?

The IUPAC name of 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 65155737) is 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

What is the SMILES notation for 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?

The canonical SMILES for 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CC1OC(C)C(C(N)Cc2ccc(Br)cc2)C1C.

What is the InChIKey of 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?

The InChIKey is ACYAKKGSAVSHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-9-10(2)18-11(3)15(9)14(17)8-12-4-6-13(16)7-5-12/h4-7,9-11,14-15H,8,17H2,1-3H3.

What are the key properties of 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?

2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 312.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 65155737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 65155737 — identifiers, structure, computed properties (public domain)

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