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

C17H22N4O — CID 111050738

IUPAC2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
SMILESCCOc1ncccc1C/N=C(\N)Nc1cccc(CC)c1
InChIInChI=1S/C17H22N4O/c1-3-13-7-5-9-15(11-13)21-17(18)20-12-14-8-6-10-19-16(14)22-4-2/h5-11H,3-4,12H2,1-2H3,(H3,18,20,21)
InChIKeyUTMJIJVVXBQTPG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.97
Rot. Bonds6

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

2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine (PubChem CID 111050738) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
PubChem CID111050738
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
SMILESCCOc1ncccc1C/N=C(\N)Nc1cccc(CC)c1
InChIInChI=1S/C17H22N4O/c1-3-13-7-5-9-15(11-13)21-17(18)20-12-14-8-6-10-19-16(14)22-4-2/h5-11H,3-4,12H2,1-2H3,(H3,18,20,21)
InChIKeyUTMJIJVVXBQTPG-UHFFFAOYSA-N
XLogP2.97
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.97
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-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
CID 111083455
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-ethoxy-3-pyridinyl)methyl]guanidine
CID 111050752
2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine
CID 111050604
2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine
CID 111050696
1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111050638
1-(3-chloro-4-methoxyphenyl)-2-[(2-ethoxy-3-pyridinyl)methyl]guanidine
CID 111050768
2-[(3-ethoxyphenyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111049449
1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine
CID 111751910
2-[(2-ethoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 111050722
1-(3-ethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053940
2-[(2-ethoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111050721
1-(3-ethylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methyl]guanidine
CID 111099962

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine?
The IUPAC name of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine (CID 111050738) is 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine.
What is the SMILES notation for 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine?
The canonical SMILES for 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine is CCOc1ncccc1C/N=C(\N)Nc1cccc(CC)c1.
What is the InChIKey of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine?
The InChIKey is UTMJIJVVXBQTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-13-7-5-9-15(11-13)21-17(18)20-12-14-8-6-10-19-16(14)22-4-2/h5-11H,3-4,12H2,1-2H3,(H3,18,20,21).
What are the key properties of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine?
2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine has a molecular weight of 298.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine is sourced from PubChem (CID 111050738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).