1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine

C18H22Cl2N4O — CID 111192266

IUPAC1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(/NCCCOc1ccc(Cl)cc1Cl)NCCc1ccccn1
InChIInChI=1S/C18H22Cl2N4O/c1-21-18(24-11-8-15-5-2-3-9-22-15)23-10-4-12-25-17-7-6-14(19)13-16(17)20/h2-3,5-7,9,13H,4,8,10-12H2,1H3,(H2,21,23,24)
InChIKeyJGSILPBULKVKTI-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.57
Rot. Bonds8

About 1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine

1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111192266) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111192266
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(/NCCCOc1ccc(Cl)cc1Cl)NCCc1ccccn1
InChIInChI=1S/C18H22Cl2N4O/c1-21-18(24-11-8-15-5-2-3-9-22-15)23-10-4-12-25-17-7-6-14(19)13-16(17)20/h2-3,5-7,9,13H,4,8,10-12H2,1H3,(H2,21,23,24)
InChIKeyJGSILPBULKVKTI-UHFFFAOYSA-N
XLogP3.57
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(2,4,6-trichlorophenoxy)ethyl]guanidine
CID 109464450
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192140
1-(5-methoxypentyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191752
1-[3-(2,4-dichlorophenoxy)propyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111946260
2-(2,4-dichlorophenoxy)-N-(3-pyridin-2-ylpropyl)acetamide
CID 110660985
1-[2-(4-chlorophenyl)sulfanylethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192944
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194663
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191174
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193007
2-methyl-1-[2-(3-methylphenoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193756
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111499327
1-[3-(2,4-dichlorophenoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111235536

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine (CID 111192266) is 1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine is C/N=C(/NCCCOc1ccc(Cl)cc1Cl)NCCc1ccccn1.
What is the InChIKey of 1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is JGSILPBULKVKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-21-18(24-11-8-15-5-2-3-9-22-15)23-10-4-12-25-17-7-6-14(19)13-16(17)20/h2-3,5-7,9,13H,4,8,10-12H2,1H3,(H2,21,23,24).
What are the key properties of 1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 381.31 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111192266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).