2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine

C19H25N3O2 — CID 111799974

IUPAC2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine
SMILESCOc1ccc(CCN/C(N)=N/CC(CO)c2ccccc2)cc1
InChIInChI=1S/C19H25N3O2/c1-24-18-9-7-15(8-10-18)11-12-21-19(20)22-13-17(14-23)16-5-3-2-4-6-16/h2-10,17,23H,11-14H2,1H3,(H3,20,21,22)
InChIKeyDZILEJCOMKEFQF-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.92
Rot. Bonds8

About 2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine

2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine (PubChem CID 111799974) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine
PubChem CID111799974
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine
SMILESCOc1ccc(CCN/C(N)=N/CC(CO)c2ccccc2)cc1
InChIInChI=1S/C19H25N3O2/c1-24-18-9-7-15(8-10-18)11-12-21-19(20)22-13-17(14-23)16-5-3-2-4-6-16/h2-10,17,23H,11-14H2,1H3,(H3,20,21,22)
InChIKeyDZILEJCOMKEFQF-UHFFFAOYSA-N
XLogP1.92
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.92
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-propylguanidine;hydroiodide
CID 111799989
2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine
CID 111799956
1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide
CID 110924943
2-(3-hydroxy-2-phenylpropyl)-1-octylguanidine;hydroiodide
CID 111799965
2-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 52527020
2-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 51135359
2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine
CID 111800004
1-[2-(4-methoxyphenyl)ethyl]-2-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine
CID 52500269
2-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110926143
1-[2-(4-methoxyphenyl)ethyl]-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 110925402
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029765
1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111799951

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine (CID 111799974) is 2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine is COc1ccc(CCN/C(N)=N/CC(CO)c2ccccc2)cc1.
What is the InChIKey of 2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine?
The InChIKey is DZILEJCOMKEFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-24-18-9-7-15(8-10-18)11-12-21-19(20)22-13-17(14-23)16-5-3-2-4-6-16/h2-10,17,23H,11-14H2,1H3,(H3,20,21,22).
What are the key properties of 2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine?
2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine has a molecular weight of 327.43 g/mol, XLogP of 1.92, 8 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-[2-(4-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111799974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).