2-(2,2-diphenylethyl)-1-phenylguanidine

C21H21N3 — CID 110924821

IUPAC2-(2,2-diphenylethyl)-1-phenylguanidine
SMILESN/C(=N\CC(c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H21N3/c22-21(24-19-14-8-3-9-15-19)23-16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20H,16H2,(H3,22,23,24)
InChIKeyBMDHBICKFUSZAO-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.25
Rot. Bonds5

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

2-(2,2-diphenylethyl)-1-phenylguanidine (PubChem CID 110924821) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(2,2-diphenylethyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2,2-diphenylethyl)-1-phenylguanidine
PubChem CID110924821
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name2-(2,2-diphenylethyl)-1-phenylguanidine
SMILESN/C(=N\CC(c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H21N3/c22-21(24-19-14-8-3-9-15-19)23-16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20H,16H2,(H3,22,23,24)
InChIKeyBMDHBICKFUSZAO-UHFFFAOYSA-N
XLogP4.25
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.25
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

2-(2-methoxy-2-phenylethyl)-1-phenylguanidine
CID 110918046
2-(2,2-diphenylethyl)-1-ethylguanidine
CID 111031160
2-[2-(3-methylphenyl)propyl]-1-phenylguanidine
CID 111459323
1-cyano-2-(2,2-diphenylethyl)guanidine
CID 142011471
2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide
CID 111099855
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 111456543
2-(4-hydroxy-2-methylpentyl)-1-phenylguanidine;hydroiodide
CID 111456432
2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
2-benzyl-1-phenylguanidine
CID 12910062
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
1-phenyl-2-(1-phenylpropyl)guanidine
CID 20811726
1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111498176

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethyl)-1-phenylguanidine?
The IUPAC name of 2-(2,2-diphenylethyl)-1-phenylguanidine (CID 110924821) is 2-(2,2-diphenylethyl)-1-phenylguanidine.
What is the SMILES notation for 2-(2,2-diphenylethyl)-1-phenylguanidine?
The canonical SMILES for 2-(2,2-diphenylethyl)-1-phenylguanidine is N/C(=N\CC(c1ccccc1)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-(2,2-diphenylethyl)-1-phenylguanidine?
The InChIKey is BMDHBICKFUSZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c22-21(24-19-14-8-3-9-15-19)23-16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20H,16H2,(H3,22,23,24).
What are the key properties of 2-(2,2-diphenylethyl)-1-phenylguanidine?
2-(2,2-diphenylethyl)-1-phenylguanidine has a molecular weight of 315.42 g/mol, XLogP of 4.25, 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-phenylguanidine is sourced from PubChem (CID 110924821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).