2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine

C15H24ClN3O — CID 111544479

IUPAC2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CCCc1ccccc1Cl)NCCOC
InChIInChI=1S/C15H24ClN3O/c1-3-17-15(19-11-12-20-2)18-10-6-8-13-7-4-5-9-14(13)16/h4-5,7,9H,3,6,8,10-12H2,1-2H3,(H2,17,18,19)
InChIKeyBFVXVXRLASRTSG-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.47
Rot. Bonds8

About 2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine

2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine (PubChem CID 111544479) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
PubChem CID111544479
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CCCc1ccccc1Cl)NCCOC
InChIInChI=1S/C15H24ClN3O/c1-3-17-15(19-11-12-20-2)18-10-6-8-13-7-4-5-9-14(13)16/h4-5,7,9H,3,6,8,10-12H2,1-2H3,(H2,17,18,19)
InChIKeyBFVXVXRLASRTSG-UHFFFAOYSA-N
XLogP2.47
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111882229
2-[(2-chlorophenyl)methyl]-1-ethyl-3-(5-methoxypentyl)guanidine
CID 111174534
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111227932
1-[2-(2,3-dichlorophenoxy)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110973285
1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(2-methoxyethyl)guanidine
CID 111790084
1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine
CID 110940344
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111882583
2-[3-(4-bromo-2-fluorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111604243
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111174315
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 110942179
2-[3-(2,4-dichlorophenyl)propyl]-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111720395
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine?
The IUPAC name of 2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine (CID 111544479) is 2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine is CCN/C(=N\CCCc1ccccc1Cl)NCCOC.
What is the InChIKey of 2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine?
The InChIKey is BFVXVXRLASRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-17-15(19-11-12-20-2)18-10-6-8-13-7-4-5-9-14(13)16/h4-5,7,9H,3,6,8,10-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine?
2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine has a molecular weight of 297.83 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 111544479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).