2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide

C19H32ClIN4O2 — CID 111837961

About 2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide

2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111837961) has the molecular formula C19H32ClIN4O2 and a molecular weight of 510.85 g/mol. Its IUPAC name is 2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
• PubChem CID: 111837961
• Molecular Formula: C19H32ClIN4O2
• Molecular Weight: 510.85 g/mol
• Exact Mass: 510.13
• IUPAC Name: 2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
• SMILES: CCN/C(=N\Cc1ccc(Cl)cc1OC)NCC(C)(C)N1CCOCC1.I
• InChI: InChI=1S/C19H31ClN4O2.HI/c1-5-21-18(22-13-15-6-7-16(20)12-17(15)25-4)23-14-19(2,3)24-8-10-26-11-9-24;/h6-7,12H,5,8-11,13-14H2,1-4H3,(H2,21,22,23);1H
• InChIKey: KHWCYZIKQKOQME-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 58.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.85
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?

The IUPAC name of 2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111837961) is 2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide.

What is the SMILES notation for 2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?

The canonical SMILES for 2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide is CCN/C(=N\Cc1ccc(Cl)cc1OC)NCC(C)(C)N1CCOCC1.I.

What is the InChIKey of 2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?

The InChIKey is KHWCYZIKQKOQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN4O2.HI/c1-5-21-18(22-13-15-6-7-16(20)12-17(15)25-4)23-14-19(2,3)24-8-10-26-11-9-24;/h6-7,12H,5,8-11,13-14H2,1-4H3,(H2,21,22,23);1H.

What are the key properties of 2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide?

2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 510.85 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111837961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).