N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine

C₁₅H₂₃NO — CID 115704048

About N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine

N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115704048) has the molecular formula C₁₅H₂₃NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

• Compound Name: N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
• PubChem CID: 115704048
• Molecular Formula: C₁₅H₂₃NO
• Molecular Weight: 233.36 g/mol
• Exact Mass: 233.18
• IUPAC Name: N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
• SMILES: Cc1ccccc1C(C)NC(C)C1CCOC1
• InChI: InChI=1S/C15H23NO/c1-11-6-4-5-7-15(11)13(3)16-12(2)14-8-9-17-10-14/h4-7,12-14,16H,8-10H2,1-3H3
• InChIKey: SSEWNDYHLQOHIE-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.36
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine?

The IUPAC name of N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine (CID 115704048) is N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine.

What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine?

The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine is Cc1ccccc1C(C)NC(C)C1CCOC1.

What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine?

The InChIKey is SSEWNDYHLQOHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-4-5-7-15(11)13(3)16-12(2)14-8-9-17-10-14/h4-7,12-14,16H,8-10H2,1-3H3.

What are the key properties of N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine?

N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115704048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115704048 — identifiers, structure, computed properties (public domain)

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