1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide

C19H26IN3O — CID 110924943

IUPAC1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide
SMILESCOc1ccc(CCN/C(N)=N/CCCc2ccccc2)cc1.I
InChIInChI=1S/C19H25N3O.HI/c1-23-18-11-9-17(10-12-18)13-15-22-19(20)21-14-5-8-16-6-3-2-4-7-16;/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H3,20,21,22);1H
InChIKeyGGSIWEDLIKILQX-UHFFFAOYSA-N
MW439.34 g/mol
LogP3.39
Rot. Bonds8

About 1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide

1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide (PubChem CID 110924943) has the molecular formula C19H26IN3O and a molecular weight of 439.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide
PubChem CID110924943
Molecular FormulaC19H26IN3O
Molecular Weight439.34 g/mol
Exact Mass439.11
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide
SMILESCOc1ccc(CCN/C(N)=N/CCCc2ccccc2)cc1.I
InChIInChI=1S/C19H25N3O.HI/c1-23-18-11-9-17(10-12-18)13-15-22-19(20)21-14-5-8-16-6-3-2-4-7-16;/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H3,20,21,22);1H
InChIKeyGGSIWEDLIKILQX-UHFFFAOYSA-N
XLogP3.39
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

1-[2-(4-methoxyphenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 110927209
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(3-fluorophenyl)propyl]guanidine;hydroiodide
CID 111807113
1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110926864
2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
CID 111022885
N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752348
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-phenoxypropyl)guanidine
CID 111036916
2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111799974
2-[3-(diethylamino)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111025347
1-(2-phenylethyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018539

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide (CID 110924943) is 1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide is COc1ccc(CCN/C(N)=N/CCCc2ccccc2)cc1.I.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide?
The InChIKey is GGSIWEDLIKILQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.HI/c1-23-18-11-9-17(10-12-18)13-15-22-19(20)21-14-5-8-16-6-3-2-4-7-16;/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H3,20,21,22);1H.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide?
1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide has a molecular weight of 439.34 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 110924943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).