1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide

C12H20IN3O — CID 111216372

IUPAC1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
SMILESCCN/C(=N\C)NCc1ccccc1OC.I
InChIInChI=1S/C12H19N3O.HI/c1-4-14-12(13-2)15-9-10-7-5-6-8-11(10)16-3;/h5-8H,4,9H2,1-3H3,(H2,13,14,15);1H
InChIKeyWZWWTOKZICIHHL-UHFFFAOYSA-N
MW349.22 g/mol
LogP2.00
Rot. Bonds4

About 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide

1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 111216372) has the molecular formula C12H20IN3O and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
PubChem CID111216372
Molecular FormulaC12H20IN3O
Molecular Weight349.22 g/mol
Exact Mass349.07
IUPAC Name1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
SMILESCCN/C(=N\C)NCc1ccccc1OC.I
InChIInChI=1S/C12H19N3O.HI/c1-4-14-12(13-2)15-9-10-7-5-6-8-11(10)16-3;/h5-8H,4,9H2,1-3H3,(H2,13,14,15);1H
InChIKeyWZWWTOKZICIHHL-UHFFFAOYSA-N
XLogP2.00
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 52.00
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

1-(2-ethylbutyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111778464
1-(2-ethylbutyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111778465
1-(2-ethylsulfonylethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111215656
1-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 110981483
1-(2-ethylsulfonylethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111215657
1-[(3-methoxy-4-methylphenyl)methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111215830
1-[(2-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216424
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111215477
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778467
1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 110933655
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110913747
1-(2-methoxy-2-phenylethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216168

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide (CID 111216372) is 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide is CCN/C(=N\C)NCc1ccccc1OC.I.
What is the InChIKey of 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is WZWWTOKZICIHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.HI/c1-4-14-12(13-2)15-9-10-7-5-6-8-11(10)16-3;/h5-8H,4,9H2,1-3H3,(H2,13,14,15);1H.
What are the key properties of 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 349.22 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111216372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).