N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine

C₁₅H₂₆N₂O — CID 62459122

About N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine

N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine (PubChem CID 62459122) has the molecular formula C₁₅H₂₆N₂O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine.

Molecular Properties

• Compound Name: N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
• PubChem CID: 62459122
• Molecular Formula: C₁₅H₂₆N₂O
• Molecular Weight: 250.39 g/mol
• Exact Mass: 250.20
• IUPAC Name: N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
• SMILES: CC(C)NCc1ccc(COCCN(C)C)cc1
• InChI: InChI=1S/C15H26N2O/c1-13(2)16-11-14-5-7-15(8-6-14)12-18-10-9-17(3)4/h5-8,13,16H,9-12H2,1-4H3
• InChIKey: NNVLQMBBXKRNSF-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.39
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine?

The IUPAC name of N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine (CID 62459122) is N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine.

What is the SMILES notation for N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine?

The canonical SMILES for N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(COCCN(C)C)cc1.

What is the InChIKey of N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine?

The InChIKey is NNVLQMBBXKRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)16-11-14-5-7-15(8-6-14)12-18-10-9-17(3)4/h5-8,13,16H,9-12H2,1-4H3.

What are the key properties of N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine?

N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62459122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62459122 — identifiers, structure, computed properties (public domain)

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