1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine

C11H17N3O2 — CID 90644712

IUPAC1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine
SMILESCCOc1ccc(N/C(N)=N/CCO)cc1
InChIInChI=1S/C11H17N3O2/c1-2-16-10-5-3-9(4-6-10)14-11(12)13-7-8-15/h3-6,15H,2,7-8H2,1H3,(H3,12,13,14)
InChIKeyFYQBPWSGLNAOGL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.80
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine

1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine (PubChem CID 90644712) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine
PubChem CID90644712
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine
SMILESCCOc1ccc(N/C(N)=N/CCO)cc1
InChIInChI=1S/C11H17N3O2/c1-2-16-10-5-3-9(4-6-10)14-11(12)13-7-8-15/h3-6,15H,2,7-8H2,1H3,(H3,12,13,14)
InChIKeyFYQBPWSGLNAOGL-UHFFFAOYSA-N
XLogP0.80
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.80
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-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride
CID 90644750
1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine
CID 90644718
1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride
CID 90644717
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
1-(4-butan-2-ylphenyl)-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111023000
2-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111026069
1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine
CID 116511523
2-(2-hydroxyethyl)-1-[4-[5-[4-[[N'-(2-hydroxyethyl)carbamimidoyl]amino]phenyl]furan-2-yl]phenyl]guanidine
CID 71378538
2-[2-(4-bromophenoxy)ethyl]-1-(4-methylphenyl)guanidine
CID 111088991
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
1-(4-methoxyphenyl)-2-(2-methylsulfanylethyl)guanidine
CID 111030340
2-(2-ethylsulfonylethyl)-1-(4-methoxyphenyl)guanidine
CID 111100364

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine (CID 90644712) is 1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine is CCOc1ccc(N/C(N)=N/CCO)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine?
The InChIKey is FYQBPWSGLNAOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-16-10-5-3-9(4-6-10)14-11(12)13-7-8-15/h3-6,15H,2,7-8H2,1H3,(H3,12,13,14).
What are the key properties of 1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine?
1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine has a molecular weight of 223.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine is sourced from PubChem (CID 90644712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).