1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine

C19H26N4O — CID 109410599

IUPAC1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncccc1C)NCC(CO)c1ccccc1
InChIInChI=1S/C19H26N4O/c1-3-20-19(23-13-18-15(2)8-7-11-21-18)22-12-17(14-24)16-9-5-4-6-10-16/h4-11,17,24H,3,12-14H2,1-2H3,(H2,20,22,23)
InChIKeyKXKBPEVKBVUOPC-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.22
Rot. Bonds7

About 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine

1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 109410599) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
PubChem CID109410599
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncccc1C)NCC(CO)c1ccccc1
InChIInChI=1S/C19H26N4O/c1-3-20-19(23-13-18-15(2)8-7-11-21-18)22-12-17(14-24)16-9-5-4-6-10-16/h4-11,17,24H,3,12-14H2,1-2H3,(H2,20,22,23)
InChIKeyKXKBPEVKBVUOPC-UHFFFAOYSA-N
XLogP2.22
TPSA69.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.22
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

1-ethyl-2-[(3-fluoro-2-pyridinyl)methyl]-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109409789
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine
CID 111788533
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 109410966
1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 116515248
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 109409926
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine
CID 109408044
1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111548188
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111787827
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 109409917
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 109408582
1-ethyl-3-hexyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111787988
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(1-methylpyrrol-3-yl)methyl]guanidine
CID 109410965

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine (CID 109410599) is 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1ncccc1C)NCC(CO)c1ccccc1.
What is the InChIKey of 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is KXKBPEVKBVUOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-20-19(23-13-18-15(2)8-7-11-21-18)22-12-17(14-24)16-9-5-4-6-10-16/h4-11,17,24H,3,12-14H2,1-2H3,(H2,20,22,23).
What are the key properties of 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 326.44 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 109410599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).