1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine

C19H33N3O4 — CID 111406349

IUPAC1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
SMILESCCN/C(=N\CC(O)COc1cccc(C)c1)NCCCOCCOC
InChIInChI=1S/C19H33N3O4/c1-4-20-19(21-9-6-10-25-12-11-24-3)22-14-17(23)15-26-18-8-5-7-16(2)13-18/h5,7-8,13,17,23H,4,6,9-12,14-15H2,1-3H3,(H2,20,21,22)
InChIKeyPHTKXZPWFAQTHE-UHFFFAOYSA-N
MW367.49 g/mol
LogP1.34
Rot. Bonds13

About 1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine

1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine (PubChem CID 111406349) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
PubChem CID111406349
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Name1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
SMILESCCN/C(=N\CC(O)COc1cccc(C)c1)NCCCOCCOC
InChIInChI=1S/C19H33N3O4/c1-4-20-19(21-9-6-10-25-12-11-24-3)22-14-17(23)15-26-18-8-5-7-16(2)13-18/h5,7-8,13,17,23H,4,6,9-12,14-15H2,1-3H3,(H2,20,21,22)
InChIKeyPHTKXZPWFAQTHE-UHFFFAOYSA-N
XLogP1.34
TPSA84.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111402065
1-ethyl-2-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111406334
1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine;hydroiodide
CID 109460247
1-tert-butyl-3-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 110964634
1-(3-ethoxypropyl)-3-ethyl-2-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]guanidine;hydroiodide
CID 111224510
2-[[3-(2,2-difluoroethoxy)phenyl]methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111406834
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-phenoxypropyl)guanidine
CID 111788822
1-ethyl-2-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-(3-methoxypropyl)guanidine;hydroiodide
CID 110975748
1-ethyl-2-(3-methoxypropyl)-3-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110975280
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]guanidine
CID 111380626
1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352820
1-ethyl-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 109491633

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine (CID 111406349) is 1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine is CCN/C(=N\CC(O)COc1cccc(C)c1)NCCCOCCOC.
What is the InChIKey of 1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine?
The InChIKey is PHTKXZPWFAQTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-4-20-19(21-9-6-10-25-12-11-24-3)22-14-17(23)15-26-18-8-5-7-16(2)13-18/h5,7-8,13,17,23H,4,6,9-12,14-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine?
1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine has a molecular weight of 367.49 g/mol, XLogP of 1.34, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-[3-(2-methoxyethoxy)propyl]guanidine is sourced from PubChem (CID 111406349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).