2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine

C₁₆H₂₅NO₂ — CID 116872267

About 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine

2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine (PubChem CID 116872267) has the molecular formula C₁₆H₂₅NO₂ and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine.

Molecular Properties

• Compound Name: 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine
• PubChem CID: 116872267
• Molecular Formula: C₁₆H₂₅NO₂
• Molecular Weight: 263.38 g/mol
• Exact Mass: 263.19
• IUPAC Name: 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine
• SMILES: CNC(C)(C)C1(c2cc(C)c(OC)cc2C)COC1
• InChI: InChI=1S/C16H25NO2/c1-11-8-14(18-6)12(2)7-13(11)16(9-19-10-16)15(3,4)17-5/h7-8,17H,9-10H2,1-6H3
• InChIKey: YVCRKELYPBWQEL-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.38
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine?

The IUPAC name of 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine (CID 116872267) is 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine.

What is the SMILES notation for 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine?

The canonical SMILES for 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine is CNC(C)(C)C1(c2cc(C)c(OC)cc2C)COC1.

What is the InChIKey of 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine?

The InChIKey is YVCRKELYPBWQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-8-14(18-6)12(2)7-13(11)16(9-19-10-16)15(3,4)17-5/h7-8,17H,9-10H2,1-6H3.

What are the key properties of 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine?

2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116872267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116872267 — identifiers, structure, computed properties (public domain)

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