Methoxyphenamine

C₁₁H₁₇NO — CID 4117

About Methoxyphenamine

Methoxyphenamine (PubChem CID 4117) has the molecular formula C₁₁H₁₇NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methylpropan-2-amine.

Molecular Properties

• Compound Name: Methoxyphenamine
• PubChem CID: 4117
• Molecular Formula: C₁₁H₁₇NO
• Molecular Weight: 179.26 g/mol
• Exact Mass: 179.13
• IUPAC Name: 1-(2-methoxyphenyl)-N-methylpropan-2-amine
• SMILES: CNC(C)Cc1ccccc1OC
• InChI: InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3
• InChIKey: OEHAYUOVELTAPG-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.26
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Methoxyphenamine?

The IUPAC name of Methoxyphenamine (CID 4117) is 1-(2-methoxyphenyl)-N-methylpropan-2-amine.

What is the SMILES notation for Methoxyphenamine?

The canonical SMILES for Methoxyphenamine is CNC(C)Cc1ccccc1OC.

What is the InChIKey of Methoxyphenamine?

The InChIKey is OEHAYUOVELTAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3.

What are the key properties of Methoxyphenamine?

Methoxyphenamine has a molecular weight of 179.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Methoxyphenamine is sourced from PubChem (CID 4117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4117 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1755 — approved-drug record (CC BY-SA 4.0)

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