N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine

C₁₅H₂₆N₂O₂ — CID 43220481

About N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine

N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 43220481) has the molecular formula C₁₅H₂₆N₂O₂ and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
• PubChem CID: 43220481
• Molecular Formula: C₁₅H₂₆N₂O₂
• Molecular Weight: 266.38 g/mol
• Exact Mass: 266.20
• IUPAC Name: N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
• SMILES: CCOc1cccc(CNCCCN(C)C)c1OC
• InChI: InChI=1S/C15H26N2O2/c1-5-19-14-9-6-8-13(15(14)18-4)12-16-10-7-11-17(2)3/h6,8-9,16H,5,7,10-12H2,1-4H3
• InChIKey: WGYODFWOKJVNSM-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 33.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.38
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine?

The IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine (CID 43220481) is N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine.

What is the SMILES notation for N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine?

The canonical SMILES for N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine is CCOc1cccc(CNCCCN(C)C)c1OC.

What is the InChIKey of N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine?

The InChIKey is WGYODFWOKJVNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-19-14-9-6-8-13(15(14)18-4)12-16-10-7-11-17(2)3/h6,8-9,16H,5,7,10-12H2,1-4H3.

What are the key properties of N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine?

N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 43220481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43220481 — identifiers, structure, computed properties (public domain)

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