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

C17H21N3O2 — CID 111800004

IUPAC2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine
SMILESCOc1cccc(N/C(N)=N/CC(CO)c2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c1-22-16-9-5-8-15(10-16)20-17(18)19-11-14(12-21)13-6-3-2-4-7-13/h2-10,14,21H,11-12H2,1H3,(H3,18,19,20)
InChIKeyGBVVROVZYFJRIA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.20
Rot. Bonds6

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

2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine (PubChem CID 111800004) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine
PubChem CID111800004
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine
SMILESCOc1cccc(N/C(N)=N/CC(CO)c2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c1-22-16-9-5-8-15(10-16)20-17(18)19-11-14(12-21)13-6-3-2-4-7-13/h2-10,14,21H,11-12H2,1H3,(H3,18,19,20)
InChIKeyGBVVROVZYFJRIA-UHFFFAOYSA-N
XLogP2.20
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.20
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-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111799934
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111803114
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111803089
1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111799951
2-[2-(diethylamino)-3-phenylpropyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111055254
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
CID 111803076
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111803130
2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111799974
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
2-[2-(3-chlorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111031316
1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine
CID 111600655

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine?
The IUPAC name of 2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine (CID 111800004) is 2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine.
What is the SMILES notation for 2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine?
The canonical SMILES for 2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine is COc1cccc(N/C(N)=N/CC(CO)c2ccccc2)c1.
What is the InChIKey of 2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine?
The InChIKey is GBVVROVZYFJRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-22-16-9-5-8-15(10-16)20-17(18)19-11-14(12-21)13-6-3-2-4-7-13/h2-10,14,21H,11-12H2,1H3,(H3,18,19,20).
What are the key properties of 2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine?
2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine has a molecular weight of 299.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine is sourced from PubChem (CID 111800004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).