Embramine

C₁₈H₂₂BrNO — CID 19105

About Embramine

Embramine (PubChem CID 19105) has the molecular formula C₁₈H₂₂BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: Embramine
• PubChem CID: 19105
• Molecular Formula: C₁₈H₂₂BrNO
• Molecular Weight: 348.28 g/mol
• Exact Mass: 347.09
• IUPAC Name: 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
• SMILES: CN(C)CCOC(C)(c1ccccc1)c1ccc(Br)cc1
• InChI: InChI=1S/C18H22BrNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3
• InChIKey: URSRSKSNFPUKGH-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.28
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Embramine?

The IUPAC name of Embramine (CID 19105) is 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine.

What is the SMILES notation for Embramine?

The canonical SMILES for Embramine is CN(C)CCOC(C)(c1ccccc1)c1ccc(Br)cc1.

What is the InChIKey of Embramine?

The InChIKey is URSRSKSNFPUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3.

What are the key properties of Embramine?

Embramine has a molecular weight of 348.28 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Embramine is sourced from PubChem (CID 19105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 19105 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 998 — approved-drug record (CC BY-SA 4.0)

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