Phenyltoloxamine

C₁₇H₂₁NO — CID 7077

About Phenyltoloxamine

Phenyltoloxamine (PubChem CID 7077) has the molecular formula C₁₇H₂₁NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: Phenyltoloxamine
• PubChem CID: 7077
• Molecular Formula: C₁₇H₂₁NO
• Molecular Weight: 255.36 g/mol
• Exact Mass: 255.16
• IUPAC Name: 2-(2-benzylphenoxy)-N,N-dimethylethanamine
• SMILES: CN(C)CCOc1ccccc1Cc1ccccc1
• InChI: InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
• InChIKey: IZRPKIZLIFYYKR-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.36
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Phenyltoloxamine?

The IUPAC name of Phenyltoloxamine (CID 7077) is 2-(2-benzylphenoxy)-N,N-dimethylethanamine.

What is the SMILES notation for Phenyltoloxamine?

The canonical SMILES for Phenyltoloxamine is CN(C)CCOc1ccccc1Cc1ccccc1.

What is the InChIKey of Phenyltoloxamine?

The InChIKey is IZRPKIZLIFYYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3.

What are the key properties of Phenyltoloxamine?

Phenyltoloxamine has a molecular weight of 255.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Phenyltoloxamine is sourced from PubChem (CID 7077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7077 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2150 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.