2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine

C19H25N3O2 — CID 110915571

IUPAC2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine
SMILESCCOCCOCc1cccc(C/N=C(\N)Nc2ccccc2)c1
InChIInChI=1S/C19H25N3O2/c1-2-23-11-12-24-15-17-8-6-7-16(13-17)14-21-19(20)22-18-9-4-3-5-10-18/h3-10,13H,2,11-12,14-15H2,1H3,(H3,20,21,22)
InChIKeyOAVAPOVFCOGOBZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.17
Rot. Bonds9

About 2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine

2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine (PubChem CID 110915571) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine
PubChem CID110915571
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine
SMILESCCOCCOCc1cccc(C/N=C(\N)Nc2ccccc2)c1
InChIInChI=1S/C19H25N3O2/c1-2-23-11-12-24-15-17-8-6-7-16(13-17)14-21-19(20)22-18-9-4-3-5-10-18/h3-10,13H,2,11-12,14-15H2,1H3,(H3,20,21,22)
InChIKeyOAVAPOVFCOGOBZ-UHFFFAOYSA-N
XLogP3.17
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.17
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

1-(3-methoxyphenyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053736
2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine
CID 111054127
2-benzyl-1-phenylguanidine
CID 12910062
1-(3-methylphenyl)-2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053610
1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111075946
1-(3-ethylphenyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018549
2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111135717
2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111053993
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
2-[(4-ethoxy-3-fluorophenyl)methyl]-1-phenylguanidine
CID 111105561
1-(4-methylphenyl)-2-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]guanidine
CID 111096661
1-(4-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045959

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine?
The IUPAC name of 2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine (CID 110915571) is 2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine?
The canonical SMILES for 2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine is CCOCCOCc1cccc(C/N=C(\N)Nc2ccccc2)c1.
What is the InChIKey of 2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine?
The InChIKey is OAVAPOVFCOGOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-23-11-12-24-15-17-8-6-7-16(13-17)14-21-19(20)22-18-9-4-3-5-10-18/h3-10,13H,2,11-12,14-15H2,1H3,(H3,20,21,22).
What are the key properties of 2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine?
2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine has a molecular weight of 327.43 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine is sourced from PubChem (CID 110915571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).