2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide

C20H29IN4O — CID 111036259

IUPAC2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCCN(CC)Cc1ccccc1C/N=C(\N)Nc1ccccc1OC.I
InChIInChI=1S/C20H28N4O.HI/c1-4-24(5-2)15-17-11-7-6-10-16(17)14-22-20(21)23-18-12-8-9-13-19(18)25-3;/h6-13H,4-5,14-15H2,1-3H3,(H3,21,22,23);1H
InChIKeyNSCKJHSFFRWSFB-UHFFFAOYSA-N
MW468.38 g/mol
LogP4.08
Rot. Bonds8

About 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide

2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111036259) has the molecular formula C20H29IN4O and a molecular weight of 468.38 g/mol. Its IUPAC name is 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
PubChem CID111036259
Molecular FormulaC20H29IN4O
Molecular Weight468.38 g/mol
Exact Mass468.14
IUPAC Name2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCCN(CC)Cc1ccccc1C/N=C(\N)Nc1ccccc1OC.I
InChIInChI=1S/C20H28N4O.HI/c1-4-24(5-2)15-17-11-7-6-10-16(17)14-22-20(21)23-18-12-8-9-13-19(18)25-3;/h6-13H,4-5,14-15H2,1-3H3,(H3,21,22,23);1H
InChIKeyNSCKJHSFFRWSFB-UHFFFAOYSA-N
XLogP4.08
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111036308
1-(3-chloro-4-methoxyphenyl)-2-[[2-(diethylaminomethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036325
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914071
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034020
2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816431
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111036299
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
1-(2-methoxyphenyl)-2-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 111061867
2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111024815
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111074361
1-(2-methoxyphenyl)-2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111059510

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide (CID 111036259) is 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide is CCN(CC)Cc1ccccc1C/N=C(\N)Nc1ccccc1OC.I.
What is the InChIKey of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is NSCKJHSFFRWSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.HI/c1-4-24(5-2)15-17-11-7-6-10-16(17)14-22-20(21)23-18-12-8-9-13-19(18)25-3;/h6-13H,4-5,14-15H2,1-3H3,(H3,21,22,23);1H.
What are the key properties of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 468.38 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111036259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).