1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine

C11H16ClN3O2 — CID 62381438

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C11H16ClN3O2/c1-4-14-11(13)15-8-6-9(16-2)7(12)5-10(8)17-3/h5-6H,4H2,1-3H3,(H3,13,14,15)
InChIKeyQDDIUDBPTDBKHL-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine

1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine (PubChem CID 62381438) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine
PubChem CID62381438
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C11H16ClN3O2/c1-4-14-11(13)15-8-6-9(16-2)7(12)5-10(8)17-3/h5-6H,4H2,1-3H3,(H3,13,14,15)
InChIKeyQDDIUDBPTDBKHL-UHFFFAOYSA-N
XLogP2.10
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine
CID 62379243
ethyl 2-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966
1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine
CID 62380389
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
CID 107567961
1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
CID 107531361
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 60853463
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
CID 81081918
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
CID 62379415
3-(4-chloro-2,5-dimethoxyanilino)propanamide
CID 43132016

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine (CID 62381438) is 1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine is CC/N=C(\N)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine?
The InChIKey is QDDIUDBPTDBKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-4-14-11(13)15-8-6-9(16-2)7(12)5-10(8)17-3/h5-6H,4H2,1-3H3,(H3,13,14,15).
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine?
1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine has a molecular weight of 257.72 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine is sourced from PubChem (CID 62381438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).