2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine

C19H25N3 — CID 111075809

IUPAC2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine
SMILESCc1ccc(CC/N=C(\N)NCCc2ccccc2)c(C)c1
InChIInChI=1S/C19H25N3/c1-15-8-9-18(16(2)14-15)11-13-22-19(20)21-12-10-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H3,20,21,22)
InChIKeyVMDVRYAWLZDFPF-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.99
Rot. Bonds6

About 2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine

2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine (PubChem CID 111075809) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine
PubChem CID111075809
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine
SMILESCc1ccc(CC/N=C(\N)NCCc2ccccc2)c(C)c1
InChIInChI=1S/C19H25N3/c1-15-8-9-18(16(2)14-15)11-13-22-19(20)21-12-10-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H3,20,21,22)
InChIKeyVMDVRYAWLZDFPF-UHFFFAOYSA-N
XLogP2.99
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.99
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

1,2-bis(2-phenylethyl)guanidine
CID 111022877
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
2-(2,4-dimethylphenyl)-N-(2-phenylethyl)acetamide
CID 100770824
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine
CID 111078707
1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111031333
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111100195
2,4-dimethyl-1-(2-phenylethyl)benzene;gold
CID 173364905
1-butan-2-yl-2-[2-(2,4-dimethylphenyl)ethyl]guanidine;hydroiodide
CID 110921044
1-[2-(3,5-dimethylphenyl)ethyl]-2-propylguanidine
CID 111818678

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine (CID 111075809) is 2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine is Cc1ccc(CC/N=C(\N)NCCc2ccccc2)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine?
The InChIKey is VMDVRYAWLZDFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-15-8-9-18(16(2)14-15)11-13-22-19(20)21-12-10-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H3,20,21,22).
What are the key properties of 2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine?
2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine has a molecular weight of 295.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111075809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).