2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine

C17H21N3 — CID 111817684

IUPAC2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
SMILESCCc1ccccc1C/N=C(\N)Nc1ccc(C)cc1
InChIInChI=1S/C17H21N3/c1-3-14-6-4-5-7-15(14)12-19-17(18)20-16-10-8-13(2)9-11-16/h4-11H,3,12H2,1-2H3,(H3,18,19,20)
InChIKeyGTJYZXHBYILAJQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.48
Rot. Bonds4

About 2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine

2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine (PubChem CID 111817684) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
PubChem CID111817684
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
SMILESCCc1ccccc1C/N=C(\N)Nc1ccc(C)cc1
InChIInChI=1S/C17H21N3/c1-3-14-6-4-5-7-15(14)12-19-17(18)20-16-10-8-13(2)9-11-16/h4-11H,3,12H2,1-2H3,(H3,18,19,20)
InChIKeyGTJYZXHBYILAJQ-UHFFFAOYSA-N
XLogP3.48
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(4-methylphenyl)-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111070711
2-[[2-(tert-butylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111082228
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111034472
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111055962
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
2-[(2-ethylphenyl)methyl]-1-prop-2-enylguanidine
CID 111456477
2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024839
1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031398
2-[(2-ethylphenyl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 111456476
1-(4-methylphenyl)-2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111059534
N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]-2-methylbutanamide
CID 111052411
2-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024216

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine (CID 111817684) is 2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine is CCc1ccccc1C/N=C(\N)Nc1ccc(C)cc1.
What is the InChIKey of 2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine?
The InChIKey is GTJYZXHBYILAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-14-6-4-5-7-15(14)12-19-17(18)20-16-10-8-13(2)9-11-16/h4-11H,3,12H2,1-2H3,(H3,18,19,20).
What are the key properties of 2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine?
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine has a molecular weight of 267.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 111817684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).