1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride

C11H19ClN4O — CID 90644717

IUPAC1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride
SMILESCCNc1ccc(N/C(N)=N/CCO)cc1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-2-13-9-3-5-10(6-4-9)15-11(12)14-7-8-16;/h3-6,13,16H,2,7-8H2,1H3,(H3,12,14,15);1H
InChIKeyVEDRAPBMHNMBRV-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.26
Rot. Bonds5

About 1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride

1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride (PubChem CID 90644717) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride
PubChem CID90644717
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride
SMILESCCNc1ccc(N/C(N)=N/CCO)cc1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-2-13-9-3-5-10(6-4-9)15-11(12)14-7-8-16;/h3-6,13,16H,2,7-8H2,1H3,(H3,12,14,15);1H
InChIKeyVEDRAPBMHNMBRV-UHFFFAOYSA-N
XLogP1.26
TPSA82.67 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.26
H-Bond Donors ≤ 54
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-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine
CID 90644718
1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)guanidine
CID 90644712
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
1-(4-butan-2-ylphenyl)-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111023000
2-(2-hydroxyethyl)-1-[4-[5-[4-[[N'-(2-hydroxyethyl)carbamimidoyl]amino]phenyl]furan-2-yl]phenyl]guanidine
CID 71378538
1-(4-iodophenyl)-2-propylguanidine
CID 62380143
1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride
CID 90644750
[4-(ethylamino)phenyl]carbamic acid
CID 122640243
2-[3-(2-hydroxyethoxy)propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 110018624
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-dodecyl-1-phenylguanidine
CID 101076594
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrochloride
CID 138398183

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride?
The IUPAC name of 1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride (CID 90644717) is 1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride.
What is the SMILES notation for 1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride?
The canonical SMILES for 1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride is CCNc1ccc(N/C(N)=N/CCO)cc1.Cl.
What is the InChIKey of 1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride?
The InChIKey is VEDRAPBMHNMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.ClH/c1-2-13-9-3-5-10(6-4-9)15-11(12)14-7-8-16;/h3-6,13,16H,2,7-8H2,1H3,(H3,12,14,15);1H.
What are the key properties of 1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride?
1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride is sourced from PubChem (CID 90644717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).