1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine

C19H26N4O3 — CID 111880227

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccnc1OC)NCc1ccc(OC)cc1OC
InChIInChI=1S/C19H26N4O3/c1-5-20-19(23-13-15-7-6-10-21-18(15)26-4)22-12-14-8-9-16(24-2)11-17(14)25-3/h6-11H,5,12-13H2,1-4H3,(H2,20,22,23)
InChIKeyMNLFXDVJKDSAOF-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.36
Rot. Bonds8

About 1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine

1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine (PubChem CID 111880227) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
PubChem CID111880227
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccnc1OC)NCc1ccc(OC)cc1OC
InChIInChI=1S/C19H26N4O3/c1-5-20-19(23-13-15-7-6-10-21-18(15)26-4)22-12-14-8-9-16(24-2)11-17(14)25-3/h6-11H,5,12-13H2,1-4H3,(H2,20,22,23)
InChIKeyMNLFXDVJKDSAOF-UHFFFAOYSA-N
XLogP2.36
TPSA77.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111879220
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111217032
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111878415
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111200277
1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)methyl]guanidine
CID 111217713
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111576683
1-[(2,4-dimethoxyphenyl)methyl]-2-[(3-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111878964
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111170484
2-[(2,5-difluorophenyl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-ethylguanidine
CID 111903495
1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111151098
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
1-ethyl-3-[(2-methoxy-3-pyridinyl)methyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111243377

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine (CID 111880227) is 1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1cccnc1OC)NCc1ccc(OC)cc1OC.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is MNLFXDVJKDSAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-5-20-19(23-13-15-7-6-10-21-18(15)26-4)22-12-14-8-9-16(24-2)11-17(14)25-3/h6-11H,5,12-13H2,1-4H3,(H2,20,22,23).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine?
1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 358.44 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111880227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).