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

C11H17N3O2 — CID 110893217

IUPAC2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
SMILESCCOc1ccc(CN=C(N)N)cc1OC
InChIInChI=1S/C11H17N3O2/c1-3-16-9-5-4-8(6-10(9)15-2)7-14-11(12)13/h4-6H,3,7H2,1-2H3,(H4,12,13,14)
InChIKeyDEUKDGKOXISCLW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.87
Rot. Bonds5

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

2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine (PubChem CID 110893217) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
PubChem CID110893217
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
SMILESCCOc1ccc(CN=C(N)N)cc1OC
InChIInChI=1S/C11H17N3O2/c1-3-16-9-5-4-8(6-10(9)15-2)7-14-11(12)13/h4-6H,3,7H2,1-2H3,(H4,12,13,14)
InChIKeyDEUKDGKOXISCLW-UHFFFAOYSA-N
XLogP0.87
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.87
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-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine
CID 95911334
1-tert-butyl-2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
CID 111049570
1-tert-butyl-2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111049569
2-[(3,4-dimethoxyphenyl)methyl]-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylguanidine
CID 111201824
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-diethylguanidine
CID 111335902
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine
CID 111812363
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111214280
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111809136
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111809128
2-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111598436
1-butyl-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylguanidine
CID 111149626
N'-[(3-ethoxy-4-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111809132

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine (CID 110893217) is 2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine is CCOc1ccc(CN=C(N)N)cc1OC.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine?
The InChIKey is DEUKDGKOXISCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-9-5-4-8(6-10(9)15-2)7-14-11(12)13/h4-6H,3,7H2,1-2H3,(H4,12,13,14).
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine?
2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine has a molecular weight of 223.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine is sourced from PubChem (CID 110893217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).