1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide

C24H28IN3O3 — CID 111821982

IUPAC1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide
SMILESCOc1ccc(OC)c(N/C(N)=N/CC(O)(Cc2ccccc2)c2ccccc2)c1.I
InChIInChI=1S/C24H27N3O3.HI/c1-29-20-13-14-22(30-2)21(15-20)27-23(25)26-17-24(28,19-11-7-4-8-12-19)16-18-9-5-3-6-10-18;/h3-15,28H,16-17H2,1-2H3,(H3,25,26,27);1H
InChIKeyOWYKMNRQDYGQFA-UHFFFAOYSA-N
MW533.41 g/mol
LogP4.18
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide

1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide (PubChem CID 111821982) has the molecular formula C24H28IN3O3 and a molecular weight of 533.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide
PubChem CID111821982
Molecular FormulaC24H28IN3O3
Molecular Weight533.41 g/mol
Exact Mass533.12
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide
SMILESCOc1ccc(OC)c(N/C(N)=N/CC(O)(Cc2ccccc2)c2ccccc2)c1.I
InChIInChI=1S/C24H27N3O3.HI/c1-29-20-13-14-22(30-2)21(15-20)27-23(25)26-17-24(28,19-11-7-4-8-12-19)16-18-9-5-3-6-10-18;/h3-15,28H,16-17H2,1-2H3,(H3,25,26,27);1H
InChIKeyOWYKMNRQDYGQFA-UHFFFAOYSA-N
XLogP4.18
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.41
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-(2-benzylsulfinylethyl)-1-(2,5-dimethoxyphenyl)guanidine
CID 111807830
1-(2,5-dimethoxyphenyl)-2-[[4-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053856
1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111820249
1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine
CID 111029946
1-(2,5-dimethoxyphenyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065745
1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069802
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111812929
2-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111817189
1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 111076580
1-(2,5-dimethoxyphenyl)-2-prop-2-enylguanidine
CID 111023982
N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111044906
1-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806315

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide (CID 111821982) is 1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide is COc1ccc(OC)c(N/C(N)=N/CC(O)(Cc2ccccc2)c2ccccc2)c1.I.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide?
The InChIKey is OWYKMNRQDYGQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.HI/c1-29-20-13-14-22(30-2)21(15-20)27-23(25)26-17-24(28,19-11-7-4-8-12-19)16-18-9-5-3-6-10-18;/h3-15,28H,16-17H2,1-2H3,(H3,25,26,27);1H.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide?
1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide has a molecular weight of 533.41 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111821982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).