2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine

C16H20N4O2 — CID 111050696

IUPAC2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine
SMILESCCOc1ncccc1C/N=C(\N)Nc1ccc(OC)cc1
InChIInChI=1S/C16H20N4O2/c1-3-22-15-12(5-4-10-18-15)11-19-16(17)20-13-6-8-14(21-2)9-7-13/h4-10H,3,11H2,1-2H3,(H3,17,19,20)
InChIKeyBBTXVWVOQWFHAZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.42
Rot. Bonds6

About 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine

2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine (PubChem CID 111050696) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine
PubChem CID111050696
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine
SMILESCCOc1ncccc1C/N=C(\N)Nc1ccc(OC)cc1
InChIInChI=1S/C16H20N4O2/c1-3-22-15-12(5-4-10-18-15)11-19-16(17)20-13-6-8-14(21-2)9-7-13/h4-10H,3,11H2,1-2H3,(H3,17,19,20)
InChIKeyBBTXVWVOQWFHAZ-UHFFFAOYSA-N
XLogP2.42
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)guanidine;hydroiodide
CID 111083416
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-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
CID 111050738
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-ethoxy-3-pyridinyl)methyl]guanidine
CID 111050752
2-[(2-ethoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 111050722
1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031398
2-[(2-ethoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111050721
2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine
CID 111050604
2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
CID 111083455
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine (CID 111050696) is 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine is CCOc1ncccc1C/N=C(\N)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine?
The InChIKey is BBTXVWVOQWFHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-22-15-12(5-4-10-18-15)11-19-16(17)20-13-6-8-14(21-2)9-7-13/h4-10H,3,11H2,1-2H3,(H3,17,19,20).
What are the key properties of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine?
2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine has a molecular weight of 300.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 111050696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).