1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide

C19H20IN3O — CID 111046321

IUPAC1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/Cc1cccc2ccccc12.I
InChIInChI=1S/C19H19N3O.HI/c1-23-18-12-5-4-11-17(18)22-19(20)21-13-15-9-6-8-14-7-2-3-10-16(14)15;/h2-12H,13H2,1H3,(H3,20,21,22);1H
InChIKeySSOHOTWZGJLXQS-UHFFFAOYSA-N
MW433.29 g/mol
LogP4.39
Rot. Bonds4

About 1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide

1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide (PubChem CID 111046321) has the molecular formula C19H20IN3O and a molecular weight of 433.29 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
PubChem CID111046321
Molecular FormulaC19H20IN3O
Molecular Weight433.29 g/mol
Exact Mass433.07
IUPAC Name1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/Cc1cccc2ccccc12.I
InChIInChI=1S/C19H19N3O.HI/c1-23-18-12-5-4-11-17(18)22-19(20)21-13-15-9-6-8-14-7-2-3-10-16(14)15;/h2-12H,13H2,1H3,(H3,20,21,22);1H
InChIKeySSOHOTWZGJLXQS-UHFFFAOYSA-N
XLogP4.39
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 54.39
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-(isoquinolin-1-ylmethyl)-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111039294
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036259
2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816431
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111100183
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034020
2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111024815
1-(2-methoxyphenyl)-2-[(4-methylsulfinylphenyl)methyl]guanidine;hydroiodide
CID 111859704
1-(2-methoxyphenyl)-2-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 111061867
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111087443
1-(2-methoxyphenyl)-2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111059510
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111074361

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide (CID 111046321) is 1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide is COc1ccccc1N/C(N)=N/Cc1cccc2ccccc12.I.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide?
The InChIKey is SSOHOTWZGJLXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O.HI/c1-23-18-12-5-4-11-17(18)22-19(20)21-13-15-9-6-8-14-7-2-3-10-16(14)15;/h2-12H,13H2,1H3,(H3,20,21,22);1H.
What are the key properties of 1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide?
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide has a molecular weight of 433.29 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111046321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).