1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide

C18H24IN3O — CID 111801523

IUPAC1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CC(C)Oc2ccccc2)cc1.I
InChIInChI=1S/C18H23N3O.HI/c1-3-15-9-11-16(12-10-15)21-18(19)20-13-14(2)22-17-7-5-4-6-8-17;/h4-12,14H,3,13H2,1-2H3,(H3,19,20,21);1H
InChIKeyRPJCZVHVJBTMJB-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.06
Rot. Bonds6

About 1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide

1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide (PubChem CID 111801523) has the molecular formula C18H24IN3O and a molecular weight of 425.31 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide
PubChem CID111801523
Molecular FormulaC18H24IN3O
Molecular Weight425.31 g/mol
Exact Mass425.10
IUPAC Name1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CC(C)Oc2ccccc2)cc1.I
InChIInChI=1S/C18H23N3O.HI/c1-3-15-9-11-16(12-10-15)21-18(19)20-13-14(2)22-17-7-5-4-6-8-17;/h4-12,14H,3,13H2,1-2H3,(H3,19,20,21);1H
InChIKeyRPJCZVHVJBTMJB-UHFFFAOYSA-N
XLogP4.06
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.06
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine
CID 111801526
2-[2-(3-methylphenoxy)propyl]-1-phenylguanidine;hydroiodide
CID 111465350
1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111799951
2-[2-(4-fluorophenoxy)propyl]-1-(4-methylphenyl)guanidine
CID 111820308
2-[2-(2-chlorophenoxy)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111821479
1-(3,5-dimethylphenyl)-2-[2-(3-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111820505
2-[2-(3-chlorophenoxy)propyl]-1-(4-methoxyphenyl)guanidine
CID 111821629
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
2-[2-(2-methoxyphenoxy)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111820568
2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111820519
2-(2-hydroxy-3-phenylmethoxypropyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111058019

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide (CID 111801523) is 1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide is CCc1ccc(N/C(N)=N/CC(C)Oc2ccccc2)cc1.I.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide?
The InChIKey is RPJCZVHVJBTMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.HI/c1-3-15-9-11-16(12-10-15)21-18(19)20-13-14(2)22-17-7-5-4-6-8-17;/h4-12,14H,3,13H2,1-2H3,(H3,19,20,21);1H.
What are the key properties of 1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide?
1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide has a molecular weight of 425.31 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide is sourced from PubChem (CID 111801523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).