1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride

C12H20ClN3O — CID 90644750

IUPAC1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride
SMILESCCC/N=C(\N)Nc1ccc(OCC)cc1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-3-9-14-12(13)15-10-5-7-11(8-6-10)16-4-2;/h5-8H,3-4,9H2,1-2H3,(H3,13,14,15);1H
InChIKeyNZLPWSJSIXEENN-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.64
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride

1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride (PubChem CID 90644750) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride
PubChem CID90644750
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride
SMILESCCC/N=C(\N)Nc1ccc(OCC)cc1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-3-9-14-12(13)15-10-5-7-11(8-6-10)16-4-2;/h5-8H,3-4,9H2,1-2H3,(H3,13,14,15);1H
InChIKeyNZLPWSJSIXEENN-UHFFFAOYSA-N
XLogP2.64
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-hydroxyethyl)guanidine
CID 90644712
1-(4-iodophenyl)-2-propylguanidine
CID 62380143
1-(4-ethoxy-3-fluorophenyl)-2-propylguanidine
CID 113399815
1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine
CID 116511523
2-[2-(4-bromophenoxy)ethyl]-1-(4-methylphenyl)guanidine
CID 111088991
2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111101198
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
CID 87125510
CID 87125510
1-[4-(ethylamino)phenyl]-2-(2-hydroxyethyl)guanidine;hydrochloride
CID 90644717
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
CID 62379415

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride?
The IUPAC name of 1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride (CID 90644750) is 1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride is CCC/N=C(\N)Nc1ccc(OCC)cc1.Cl.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride?
The InChIKey is NZLPWSJSIXEENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-3-9-14-12(13)15-10-5-7-11(8-6-10)16-4-2;/h5-8H,3-4,9H2,1-2H3,(H3,13,14,15);1H.
What are the key properties of 1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride?
1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride is sourced from PubChem (CID 90644750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).