2-(2-naphthalen-2-ylethyl)-1-phenylguanidine

C19H19N3 — CID 110926253

IUPAC2-(2-naphthalen-2-ylethyl)-1-phenylguanidine
SMILESN/C(=N\CCc1ccc2ccccc2c1)Nc1ccccc1
InChIInChI=1S/C19H19N3/c20-19(22-18-8-2-1-3-9-18)21-13-12-15-10-11-16-6-4-5-7-17(16)14-15/h1-11,14H,12-13H2,(H3,20,21,22)
InChIKeyNPKMQZMVGIQAAK-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.81
Rot. Bonds4

About 2-(2-naphthalen-2-ylethyl)-1-phenylguanidine

2-(2-naphthalen-2-ylethyl)-1-phenylguanidine (PubChem CID 110926253) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(2-naphthalen-2-ylethyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2-naphthalen-2-ylethyl)-1-phenylguanidine
PubChem CID110926253
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name2-(2-naphthalen-2-ylethyl)-1-phenylguanidine
SMILESN/C(=N\CCc1ccc2ccccc2c1)Nc1ccccc1
InChIInChI=1S/C19H19N3/c20-19(22-18-8-2-1-3-9-18)21-13-12-15-10-11-16-6-4-5-7-17(16)14-15/h1-11,14H,12-13H2,(H3,20,21,22)
InChIKeyNPKMQZMVGIQAAK-UHFFFAOYSA-N
XLogP3.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.81
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-naphthalen-2-ylethyl)guanidine
CID 111069790
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenylguanidine
CID 110913854
2-[2-(3-bromo-4-fluorophenyl)ethyl]-1-phenylguanidine;hydroiodide
CID 110926291
1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110924654
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenylguanidine;hydroiodide
CID 110913853
2-[2-(3-methoxy-4-methylphenyl)ethyl]-1-phenylguanidine
CID 111459304
1-phenyl-2-[2-(3,4,5-trifluorophenyl)ethyl]guanidine;hydroiodide
CID 110017725
1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069802
1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
CID 55063925
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-ylethyl)-1-phenylguanidine?
The IUPAC name of 2-(2-naphthalen-2-ylethyl)-1-phenylguanidine (CID 110926253) is 2-(2-naphthalen-2-ylethyl)-1-phenylguanidine.
What is the SMILES notation for 2-(2-naphthalen-2-ylethyl)-1-phenylguanidine?
The canonical SMILES for 2-(2-naphthalen-2-ylethyl)-1-phenylguanidine is N/C(=N\CCc1ccc2ccccc2c1)Nc1ccccc1.
What is the InChIKey of 2-(2-naphthalen-2-ylethyl)-1-phenylguanidine?
The InChIKey is NPKMQZMVGIQAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c20-19(22-18-8-2-1-3-9-18)21-13-12-15-10-11-16-6-4-5-7-17(16)14-15/h1-11,14H,12-13H2,(H3,20,21,22).
What are the key properties of 2-(2-naphthalen-2-ylethyl)-1-phenylguanidine?
2-(2-naphthalen-2-ylethyl)-1-phenylguanidine has a molecular weight of 289.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-ylethyl)-1-phenylguanidine is sourced from PubChem (CID 110926253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).