1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine

C10H14ClN3O — CID 62379243

IUPAC1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-3-13-10(12)14-7-4-5-9(15-2)8(11)6-7/h4-6H,3H2,1-2H3,(H3,12,13,14)
InChIKeyTZTHJYFMCBHOLI-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.10
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine

1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine (PubChem CID 62379243) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine
PubChem CID62379243
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-3-13-10(12)14-7-4-5-9(15-2)8(11)6-7/h4-6H,3H2,1-2H3,(H3,12,13,14)
InChIKeyTZTHJYFMCBHOLI-UHFFFAOYSA-N
XLogP2.10
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
CID 62379415
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide
CID 110912605
2-butyl-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111023202
1-(3-chloro-4-methoxyphenyl)-2-[(1-ethylcyclopropyl)methyl]guanidine;hydroiodide
CID 111824580
1-(3-chloro-4-methoxyphenyl)-2-(cyclobutylmethyl)guanidine
CID 119118884
1-(3-chloro-4-methoxyphenyl)-2-(2-phenylethyl)guanidine
CID 111022915
1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine
CID 111024246
1-(3-chloro-4-methoxyphenyl)-2-(2-cyclopropylethyl)guanidine
CID 119147887
1-(3-chloro-4-methoxyphenyl)-2-[(3-methoxy-4-methylphenyl)methyl]guanidine
CID 111079151
2-[2-(2-butoxyethoxy)ethyl]-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111821820
4-[[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111048438
1-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl]guanidine
CID 111046308

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine (CID 62379243) is 1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine is CC/N=C(\N)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine?
The InChIKey is TZTHJYFMCBHOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-3-13-10(12)14-7-4-5-9(15-2)8(11)6-7/h4-6H,3H2,1-2H3,(H3,12,13,14).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine?
1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine has a molecular weight of 227.69 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine is sourced from PubChem (CID 62379243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).