2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine

C19H25N3O — CID 111054127

IUPAC2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine
SMILESCCOCc1ccc(C/N=C(\N)Nc2cccc(CC)c2)cc1
InChIInChI=1S/C19H25N3O/c1-3-15-6-5-7-18(12-15)22-19(20)21-13-16-8-10-17(11-9-16)14-23-4-2/h5-12H,3-4,13-14H2,1-2H3,(H3,20,21,22)
InChIKeyMKBHHZIKZREQPX-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.71
Rot. Bonds7

About 2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine

2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine (PubChem CID 111054127) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine
PubChem CID111054127
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine
SMILESCCOCc1ccc(C/N=C(\N)Nc2cccc(CC)c2)cc1
InChIInChI=1S/C19H25N3O/c1-3-15-6-5-7-18(12-15)22-19(20)21-13-16-8-10-17(11-9-16)14-23-4-2/h5-12H,3-4,13-14H2,1-2H3,(H3,20,21,22)
InChIKeyMKBHHZIKZREQPX-UHFFFAOYSA-N
XLogP3.71
TPSA59.64 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 ≤ 53.71
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-[(4-bromophenyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111800437
1-(3-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045961
1-(3-methylphenyl)-2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053610
2-[(3-ethoxyphenyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111049449
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-ethylphenyl)guanidine
CID 111071234
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111071233
1-(3-ethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053940
2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine
CID 110915571
1-(3-ethylphenyl)-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 111053403
1-(3-ethylphenyl)-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111035328
1-(3-ethylphenyl)-2-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111037889
1-(3-ethylphenyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018549

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine?
The IUPAC name of 2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine (CID 111054127) is 2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine.
What is the SMILES notation for 2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine?
The canonical SMILES for 2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine is CCOCc1ccc(C/N=C(\N)Nc2cccc(CC)c2)cc1.
What is the InChIKey of 2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine?
The InChIKey is MKBHHZIKZREQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-15-6-5-7-18(12-15)22-19(20)21-13-16-8-10-17(11-9-16)14-23-4-2/h5-12H,3-4,13-14H2,1-2H3,(H3,20,21,22).
What are the key properties of 2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine?
2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine has a molecular weight of 311.43 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethoxymethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine is sourced from PubChem (CID 111054127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).