1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine

C16H20N4O — CID 111050638

IUPAC1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
SMILESCCc1ccc(N/C(N)=N/Cc2cccnc2OC)cc1
InChIInChI=1S/C16H20N4O/c1-3-12-6-8-14(9-7-12)20-16(17)19-11-13-5-4-10-18-15(13)21-2/h4-10H,3,11H2,1-2H3,(H3,17,19,20)
InChIKeyZJKSMYBIJWJXIA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.58
Rot. Bonds5

About 1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine

1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine (PubChem CID 111050638) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
PubChem CID111050638
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
SMILESCCc1ccc(N/C(N)=N/Cc2cccnc2OC)cc1
InChIInChI=1S/C16H20N4O/c1-3-12-6-8-14(9-7-12)20-16(17)19-11-13-5-4-10-18-15(13)21-2/h4-10H,3,11H2,1-2H3,(H3,17,19,20)
InChIKeyZJKSMYBIJWJXIA-UHFFFAOYSA-N
XLogP2.58
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine
CID 111050696
2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine
CID 111050604
2-[(2-butoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111083416
2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
CID 111050738
2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
CID 111083455
1-(3-chloro-4-methoxyphenyl)-2-[(2-ethoxy-3-pyridinyl)methyl]guanidine
CID 111050768
1-(4-ethylphenyl)-2-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111085844
1-(3-chloro-4-methoxyphenyl)-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050585
1-(4-methylphenyl)-2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111059534
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-ethoxy-3-pyridinyl)methyl]guanidine
CID 111050752
1-(cyclobutylmethyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050659
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111034472

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine (CID 111050638) is 1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine is CCc1ccc(N/C(N)=N/Cc2cccnc2OC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is ZJKSMYBIJWJXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-12-6-8-14(9-7-12)20-16(17)19-11-13-5-4-10-18-15(13)21-2/h4-10H,3,11H2,1-2H3,(H3,17,19,20).
What are the key properties of 1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine?
1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 284.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111050638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).