2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide

C18H23ClIN3O — CID 111821493

IUPAC2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
SMILESCC(C/N=C(\N)NCCc1ccccc1)Oc1ccccc1Cl.I
InChIInChI=1S/C18H22ClN3O.HI/c1-14(23-17-10-6-5-9-16(17)19)13-22-18(20)21-12-11-15-7-3-2-4-8-15;/h2-10,14H,11-13H2,1H3,(H3,20,21,22);1H
InChIKeyAGBQTSCZUOXQAE-UHFFFAOYSA-N
MW459.76 g/mol
LogP3.87
Rot. Bonds7

About 2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide

2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111821493) has the molecular formula C18H23ClIN3O and a molecular weight of 459.76 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111821493
Molecular FormulaC18H23ClIN3O
Molecular Weight459.76 g/mol
Exact Mass459.06
IUPAC Name2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
SMILESCC(C/N=C(\N)NCCc1ccccc1)Oc1ccccc1Cl.I
InChIInChI=1S/C18H22ClN3O.HI/c1-14(23-17-10-6-5-9-16(17)19)13-22-18(20)21-12-11-15-7-3-2-4-8-15;/h2-10,14H,11-13H2,1H3,(H3,20,21,22);1H
InChIKeyAGBQTSCZUOXQAE-UHFFFAOYSA-N
XLogP3.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.76
LogP ≤ 53.87
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'}

Analyze 2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)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-[2-(2-chlorophenoxy)propyl]-1-(cyclobutylmethyl)guanidine
CID 111821490
1-tert-butyl-2-[2-(2-chlorophenoxy)propyl]guanidine
CID 111821492
2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine
CID 111820734
2-[2-(2-bromophenoxy)propyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111752735
2-[2-(2-chlorophenoxy)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111821479
1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111820601
1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-[2-(3-chlorophenoxy)propyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111821605
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
1-butyl-2-[2-(2-fluorophenoxy)propyl]guanidine
CID 111684162
1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682363
2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111821474

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide (CID 111821493) is 2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide is CC(C/N=C(\N)NCCc1ccccc1)Oc1ccccc1Cl.I.
What is the InChIKey of 2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is AGBQTSCZUOXQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O.HI/c1-14(23-17-10-6-5-9-16(17)19)13-22-18(20)21-12-11-15-7-3-2-4-8-15;/h2-10,14H,11-13H2,1H3,(H3,20,21,22);1H.
What are the key properties of 2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide?
2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 459.76 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111821493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).