2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine

C19H25N3O2 — CID 110952614

IUPAC2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCCOc1cccc(OC)c1
InChIInChI=1S/C19H25N3O2/c1-3-20-19(22-15-16-8-5-4-6-9-16)21-12-13-24-18-11-7-10-17(14-18)23-2/h4-11,14H,3,12-13,15H2,1-2H3,(H2,20,21,22)
InChIKeyXWNOHQAYOFROJM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.83
Rot. Bonds8

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

2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine (PubChem CID 110952614) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine
PubChem CID110952614
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCCOc1cccc(OC)c1
InChIInChI=1S/C19H25N3O2/c1-3-20-19(22-15-16-8-5-4-6-9-16)21-12-13-24-18-11-7-10-17(14-18)23-2/h4-11,14H,3,12-13,15H2,1-2H3,(H2,20,21,22)
InChIKeyXWNOHQAYOFROJM-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine
CID 110952618
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111004774
N-[3-[2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]ethoxy]phenyl]acetamide;hydroiodide
CID 110954521
2-benzyl-1-ethyl-3-[3-(3-methoxyphenyl)propyl]guanidine;hydroiodide
CID 110954367
1-ethyl-3-(2-methoxyethyl)-2-[(3-phenylmethoxyphenyl)methyl]guanidine
CID 110939054
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine
CID 111225399
1-(2-ethoxyethyl)-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 75420924
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005626
1-ethyl-3-(2-methoxyethyl)-2-[(3-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 110939053
1-ethyl-3-[3-(3-methoxyphenoxy)propyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111790373
1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006588
1-ethyl-2-(furan-2-ylmethyl)-3-[3-(3-methoxyphenoxy)propyl]guanidine
CID 111790022

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine?
The IUPAC name of 2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine (CID 110952614) is 2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine.
What is the SMILES notation for 2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine?
The canonical SMILES for 2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine is CCN/C(=N\Cc1ccccc1)NCCOc1cccc(OC)c1.
What is the InChIKey of 2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine?
The InChIKey is XWNOHQAYOFROJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-20-19(22-15-16-8-5-4-6-9-16)21-12-13-24-18-11-7-10-17(14-18)23-2/h4-11,14H,3,12-13,15H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine?
2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine has a molecular weight of 327.43 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]guanidine is sourced from PubChem (CID 110952614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).