1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine

C14H23N3O2 — CID 111077313

IUPAC1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine
SMILESCCOCCCN/C(N)=N/Cc1ccccc1CO
InChIInChI=1S/C14H23N3O2/c1-2-19-9-5-8-16-14(15)17-10-12-6-3-4-7-13(12)11-18/h3-4,6-7,18H,2,5,8-11H2,1H3,(H3,15,16,17)
InChIKeyLYWUWISGYWLCSY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.01
Rot. Bonds8

About 1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine

1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine (PubChem CID 111077313) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine
PubChem CID111077313
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine
SMILESCCOCCCN/C(N)=N/Cc1ccccc1CO
InChIInChI=1S/C14H23N3O2/c1-2-19-9-5-8-16-14(15)17-10-12-6-3-4-7-13(12)11-18/h3-4,6-7,18H,2,5,8-11H2,1H3,(H3,15,16,17)
InChIKeyLYWUWISGYWLCSY-UHFFFAOYSA-N
XLogP1.01
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hexyl-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine
CID 111077305
1-(3-ethoxypropyl)-2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111074541
2-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111039887
1-(3-ethoxypropyl)-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine
CID 111090247
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine
CID 111822310
2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914959
1-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025701
1-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111025700
2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111031127
1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111070159
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylguanidine
CID 55063954
2-[(3-bromophenyl)methyl]-1-(3-ethoxypropyl)guanidine
CID 75364739

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine (CID 111077313) is 1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine is CCOCCCN/C(N)=N/Cc1ccccc1CO.
What is the InChIKey of 1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine?
The InChIKey is LYWUWISGYWLCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-19-9-5-8-16-14(15)17-10-12-6-3-4-7-13(12)11-18/h3-4,6-7,18H,2,5,8-11H2,1H3,(H3,15,16,17).
What are the key properties of 1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine?
1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine has a molecular weight of 265.36 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111077313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).