2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine

C22H23N3O2 — CID 111823533

IUPAC2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine
SMILESCC(O)(C/N=C(\N)Nc1cccc(Oc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-22(26,17-9-4-2-5-10-17)16-24-21(23)25-18-11-8-14-20(15-18)27-19-12-6-3-7-13-19/h2-15,26H,16H2,1H3,(H3,23,24,25)
InChIKeyLXIBGDQVKKRUQT-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.11
Rot. Bonds6

About 2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine

2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine (PubChem CID 111823533) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine
PubChem CID111823533
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine
SMILESCC(O)(C/N=C(\N)Nc1cccc(Oc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-22(26,17-9-4-2-5-10-17)16-24-21(23)25-18-11-8-14-20(15-18)27-19-12-6-3-7-13-19/h2-15,26H,16H2,1H3,(H3,23,24,25)
InChIKeyLXIBGDQVKKRUQT-UHFFFAOYSA-N
XLogP4.11
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxy-2-thiophen-3-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111823946
2-(2-ethyl-2-hydroxybutyl)-1-(3-phenoxyphenyl)guanidine
CID 111599830
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111823844
3-[[amino-(3-phenoxyanilino)methylidene]amino]-2,2-dimethylpropanamide
CID 111599274
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
1-(3,5-dimethylphenyl)-2-(2-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111823558
2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 110912668
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
2-(2-hydroxy-3-phenoxypropyl)-1-(3-phenoxyphenyl)guanidine;hydrobromide
CID 167756826
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111598250

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine?
The IUPAC name of 2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine (CID 111823533) is 2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine?
The canonical SMILES for 2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine is CC(O)(C/N=C(\N)Nc1cccc(Oc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine?
The InChIKey is LXIBGDQVKKRUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-22(26,17-9-4-2-5-10-17)16-24-21(23)25-18-11-8-14-20(15-18)27-19-12-6-3-7-13-19/h2-15,26H,16H2,1H3,(H3,23,24,25).
What are the key properties of 2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine?
2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine has a molecular weight of 361.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-phenylpropyl)-1-(3-phenoxyphenyl)guanidine is sourced from PubChem (CID 111823533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).