2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine

C19H25N3O — CID 110953528

IUPAC2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCCc1ccc(OC)cc1
InChIInChI=1S/C19H25N3O/c1-3-20-19(22-15-17-7-5-4-6-8-17)21-14-13-16-9-11-18(23-2)12-10-16/h4-12H,3,13-15H2,1-2H3,(H2,20,21,22)
InChIKeyJWAQRAZREAERLN-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.99
Rot. Bonds7

About 2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine

2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine (PubChem CID 110953528) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine
PubChem CID110953528
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCCc1ccc(OC)cc1
InChIInChI=1S/C19H25N3O/c1-3-20-19(22-15-17-7-5-4-6-8-17)21-14-13-16-9-11-18(23-2)12-10-16/h4-12H,3,13-15H2,1-2H3,(H2,20,21,22)
InChIKeyJWAQRAZREAERLN-UHFFFAOYSA-N
XLogP2.99
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N-(2-phenylethyl)acetamide
CID 111183486
2-benzyl-1-ethyl-3-[(4-methoxyphenyl)methyl]guanidine
CID 110953544
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)propyl]guanidine
CID 111183150
2-[(3-ethoxyphenyl)methyl]-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111170817
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111136345
2-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111169821
2-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110953561
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134612
1-[2-[benzyl(methyl)amino]ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111181866
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969435
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111170036
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111136344

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine (CID 110953528) is 2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine is CCN/C(=N\Cc1ccccc1)NCCc1ccc(OC)cc1.
What is the InChIKey of 2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine?
The InChIKey is JWAQRAZREAERLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-20-19(22-15-17-7-5-4-6-8-17)21-14-13-16-9-11-18(23-2)12-10-16/h4-12H,3,13-15H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine?
2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine has a molecular weight of 311.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 110953528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).