2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide

C₁₄H₂₁ClN₂O₂ — CID 54929160

About 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide

2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide (PubChem CID 54929160) has the molecular formula C₁₄H₂₁ClN₂O₂ and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide.

Molecular Properties

• Compound Name: 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
• PubChem CID: 54929160
• Molecular Formula: C₁₄H₂₁ClN₂O₂
• Molecular Weight: 284.79 g/mol
• Exact Mass: 284.13
• IUPAC Name: 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
• SMILES: CCNC(=O)C(C)Oc1ccc(Cl)cc1CC(C)N
• InChI: InChI=1S/C14H21ClN2O2/c1-4-17-14(18)10(3)19-13-6-5-12(15)8-11(13)7-9(2)16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18)
• InChIKey: ZPUNRJXAZCADPW-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.79
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide?

The IUPAC name of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide (CID 54929160) is 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide.

What is the SMILES notation for 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide?

The canonical SMILES for 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1ccc(Cl)cc1CC(C)N.

What is the InChIKey of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide?

The InChIKey is ZPUNRJXAZCADPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-17-14(18)10(3)19-13-6-5-12(15)8-11(13)7-9(2)16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18).

What are the key properties of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide?

2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide is sourced from PubChem (CID 54929160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54929160 — identifiers, structure, computed properties (public domain)

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