2-(2,2-diphenylethyl)-1-ethylguanidine

C17H21N3 — CID 111031160

IUPAC2-(2,2-diphenylethyl)-1-ethylguanidine
SMILESCCN/C(N)=N/CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N3/c1-2-19-17(18)20-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H3,18,19,20)
InChIKeyYHWIQJCNZGLBIU-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.74
Rot. Bonds5

About 2-(2,2-diphenylethyl)-1-ethylguanidine

2-(2,2-diphenylethyl)-1-ethylguanidine (PubChem CID 111031160) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(2,2-diphenylethyl)-1-ethylguanidine.

Molecular Properties

Compound Name2-(2,2-diphenylethyl)-1-ethylguanidine
PubChem CID111031160
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(2,2-diphenylethyl)-1-ethylguanidine
SMILESCCN/C(N)=N/CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N3/c1-2-19-17(18)20-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H3,18,19,20)
InChIKeyYHWIQJCNZGLBIU-UHFFFAOYSA-N
XLogP2.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.74
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-ethyl-2-(2-phenylpropyl)guanidine
CID 115612304
2-(2,2-diphenylethyl)-1,3-diethylguanidine
CID 110924816
2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine
CID 55064143
1-cyano-2-(2,2-diphenylethyl)guanidine
CID 142011471
2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111031127
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide
CID 111799989
1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide
CID 110989018
1-[3-[3-[[(E)-[amino-(2,2-diphenylethylamino)methylidene]amino]methylamino]propylamino]propyl]-2-(2,2-diphenylethyl)guanidine
CID 59548024
1-[2-(diethylamino)-2-phenylethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912032
1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
CID 136924616

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethyl)-1-ethylguanidine?
The IUPAC name of 2-(2,2-diphenylethyl)-1-ethylguanidine (CID 111031160) is 2-(2,2-diphenylethyl)-1-ethylguanidine.
What is the SMILES notation for 2-(2,2-diphenylethyl)-1-ethylguanidine?
The canonical SMILES for 2-(2,2-diphenylethyl)-1-ethylguanidine is CCN/C(N)=N/CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,2-diphenylethyl)-1-ethylguanidine?
The InChIKey is YHWIQJCNZGLBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-19-17(18)20-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H3,18,19,20).
What are the key properties of 2-(2,2-diphenylethyl)-1-ethylguanidine?
2-(2,2-diphenylethyl)-1-ethylguanidine has a molecular weight of 267.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethyl)-1-ethylguanidine is sourced from PubChem (CID 111031160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).