[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol

C₁₅H₂₃NO₃ — CID 111976653

About [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol

[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol (PubChem CID 111976653) has the molecular formula C₁₅H₂₃NO₃ and a molecular weight of 265.35 g/mol. Its IUPAC name is [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

• Compound Name: [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol
• PubChem CID: 111976653
• Molecular Formula: C₁₅H₂₃NO₃
• Molecular Weight: 265.35 g/mol
• Exact Mass: 265.17
• IUPAC Name: [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol
• SMILES: Cc1cccc(OCCN(C)CC2(CO)COC2)c1
• InChI: InChI=1S/C15H23NO3/c1-13-4-3-5-14(8-13)19-7-6-16(2)9-15(10-17)11-18-12-15/h3-5,8,17H,6-7,9-12H2,1-2H3
• InChIKey: LSCWTMJNXAYPJO-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.35
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol?

The IUPAC name of [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol (CID 111976653) is [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol.

What is the SMILES notation for [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol?

The canonical SMILES for [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol is Cc1cccc(OCCN(C)CC2(CO)COC2)c1.

What is the InChIKey of [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol?

The InChIKey is LSCWTMJNXAYPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13-4-3-5-14(8-13)19-7-6-16(2)9-15(10-17)11-18-12-15/h3-5,8,17H,6-7,9-12H2,1-2H3.

What are the key properties of [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol?

[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol has a molecular weight of 265.35 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111976653 — identifiers, structure, computed properties (public domain)

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