2-(2-methoxy-2-phenylethyl)-1-phenylguanidine

C16H19N3O — CID 110918046

IUPAC2-(2-methoxy-2-phenylethyl)-1-phenylguanidine
SMILESCOC(C/N=C(\N)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-20-15(13-8-4-2-5-9-13)12-18-16(17)19-14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H3,17,18,19)
InChIKeyQYAFMACJEOWWCC-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-methoxy-2-phenylethyl)-1-phenylguanidine

2-(2-methoxy-2-phenylethyl)-1-phenylguanidine (PubChem CID 110918046) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(2-methoxy-2-phenylethyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2-methoxy-2-phenylethyl)-1-phenylguanidine
PubChem CID110918046
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(2-methoxy-2-phenylethyl)-1-phenylguanidine
SMILESCOC(C/N=C(\N)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-20-15(13-8-4-2-5-9-13)12-18-16(17)19-14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H3,17,18,19)
InChIKeyQYAFMACJEOWWCC-UHFFFAOYSA-N
XLogP2.80
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-methylphenyl)guanidine;hydroiodide
CID 111043587
2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111043614
1-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111043601
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine
CID 111026174
2-[2-(3-methylphenyl)propyl]-1-phenylguanidine
CID 111459323
2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine
CID 111800004
2-(4-hydroxy-2-methylpentyl)-1-phenylguanidine;hydroiodide
CID 111456432
1-phenyl-2-(1-phenylpropyl)guanidine
CID 20811726
2-(2-methoxy-2-methylpropyl)-1-phenylguanidine
CID 111465545
1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111498176

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-phenylethyl)-1-phenylguanidine?
The IUPAC name of 2-(2-methoxy-2-phenylethyl)-1-phenylguanidine (CID 110918046) is 2-(2-methoxy-2-phenylethyl)-1-phenylguanidine.
What is the SMILES notation for 2-(2-methoxy-2-phenylethyl)-1-phenylguanidine?
The canonical SMILES for 2-(2-methoxy-2-phenylethyl)-1-phenylguanidine is COC(C/N=C(\N)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-methoxy-2-phenylethyl)-1-phenylguanidine?
The InChIKey is QYAFMACJEOWWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-15(13-8-4-2-5-9-13)12-18-16(17)19-14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H3,17,18,19).
What are the key properties of 2-(2-methoxy-2-phenylethyl)-1-phenylguanidine?
2-(2-methoxy-2-phenylethyl)-1-phenylguanidine has a molecular weight of 269.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-phenylethyl)-1-phenylguanidine is sourced from PubChem (CID 110918046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).