2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide

C19H25ClIN3O2 — CID 111068560

IUPAC2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
SMILESCCOc1c(Cl)cc(C/N=C(\N)Nc2cc(C)cc(C)c2)cc1OC.I
InChIInChI=1S/C19H24ClN3O2.HI/c1-5-25-18-16(20)9-14(10-17(18)24-4)11-22-19(21)23-15-7-12(2)6-13(3)8-15;/h6-10H,5,11H2,1-4H3,(H3,21,22,23);1H
InChIKeyKHSXGEFOIWSXGU-UHFFFAOYSA-N
MW489.79 g/mol
LogP4.91
Rot. Bonds6

About 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide

2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide (PubChem CID 111068560) has the molecular formula C19H25ClIN3O2 and a molecular weight of 489.79 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
PubChem CID111068560
Molecular FormulaC19H25ClIN3O2
Molecular Weight489.79 g/mol
Exact Mass489.07
IUPAC Name2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
SMILESCCOc1c(Cl)cc(C/N=C(\N)Nc2cc(C)cc(C)c2)cc1OC.I
InChIInChI=1S/C19H24ClN3O2.HI/c1-5-25-18-16(20)9-14(10-17(18)24-4)11-22-19(21)23-15-7-12(2)6-13(3)8-15;/h6-10H,5,11H2,1-4H3,(H3,21,22,23);1H
InChIKeyKHSXGEFOIWSXGU-UHFFFAOYSA-N
XLogP4.91
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.79
LogP ≤ 54.91
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide 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

2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111068545
2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111068550
2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1,3-diethylguanidine
CID 110925925
1-(3,5-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 111095707
1-tert-butyl-2-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]guanidine
CID 111088373
1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine
CID 111804275
2-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111094609
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111809128
2-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111022755
1-(3,4-dimethylphenyl)-2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111809081
1-(3-chloro-4-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine
CID 111804265
1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111087460

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide (CID 111068560) is 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide is CCOc1c(Cl)cc(C/N=C(\N)Nc2cc(C)cc(C)c2)cc1OC.I.
What is the InChIKey of 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide?
The InChIKey is KHSXGEFOIWSXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.HI/c1-5-25-18-16(20)9-14(10-17(18)24-4)11-22-19(21)23-15-7-12(2)6-13(3)8-15;/h6-10H,5,11H2,1-4H3,(H3,21,22,23);1H.
What are the key properties of 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide?
2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide has a molecular weight of 489.79 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111068560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).