1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine

C₁₈H₂₉N₃O₂ — CID 111493148

About 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine

1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine (PubChem CID 111493148) has the molecular formula C₁₈H₂₉N₃O₂ and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
• PubChem CID: 111493148
• Molecular Formula: C₁₈H₂₉N₃O₂
• Molecular Weight: 319.45 g/mol
• Exact Mass: 319.23
• IUPAC Name: 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
• SMILES: C/N=C(\NCC(C)Oc1ccccc1OC)NC1CCCCC1
• InChI: InChI=1S/C18H29N3O2/c1-14(23-17-12-8-7-11-16(17)22-3)13-20-18(19-2)21-15-9-5-4-6-10-15/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H2,19,20,21)
• InChIKey: FFAPEOALFBZTRO-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 54.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.45
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?

The IUPAC name of 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine (CID 111493148) is 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine.

What is the SMILES notation for 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?

The canonical SMILES for 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine is C/N=C(\NCC(C)Oc1ccccc1OC)NC1CCCCC1.

What is the InChIKey of 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?

The InChIKey is FFAPEOALFBZTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(23-17-12-8-7-11-16(17)22-3)13-20-18(19-2)21-15-9-5-4-6-10-15/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H2,19,20,21).

What are the key properties of 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?

1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine has a molecular weight of 319.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111493148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111493148 — identifiers, structure, computed properties (public domain)

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