2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide

C12H20IN3O3 — CID 111335917

IUPAC2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/Cc1cc(OC)ccc1O.I
InChIInChI=1S/C12H19N3O3.HI/c1-17-6-5-14-12(13)15-8-9-7-10(18-2)3-4-11(9)16;/h3-4,7,16H,5-6,8H2,1-2H3,(H3,13,14,15);1H
InChIKeyCNMPVFPQPRGQNX-UHFFFAOYSA-N
MW381.21 g/mol
LogP1.07
Rot. Bonds6

About 2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide

2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 111335917) has the molecular formula C12H20IN3O3 and a molecular weight of 381.21 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID111335917
Molecular FormulaC12H20IN3O3
Molecular Weight381.21 g/mol
Exact Mass381.05
IUPAC Name2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/Cc1cc(OC)ccc1O.I
InChIInChI=1S/C12H19N3O3.HI/c1-17-6-5-14-12(13)15-8-9-7-10(18-2)3-4-11(9)16;/h3-4,7,16H,5-6,8H2,1-2H3,(H3,13,14,15);1H
InChIKeyCNMPVFPQPRGQNX-UHFFFAOYSA-N
XLogP1.07
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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-tert-butyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111813379
1-(3,5-dimethylphenyl)-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111813357
1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine
CID 111335932
2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111022345
1-(3-ethylphenyl)-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111813301
1-ethyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]-3-propylguanidine;hydroiodide
CID 111794004
2-[(2,3-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 75419036
2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111813337
2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914959
2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110924905
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111095787
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914071

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide (CID 111335917) is 2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide is COCCN/C(N)=N/Cc1cc(OC)ccc1O.I.
What is the InChIKey of 2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is CNMPVFPQPRGQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3.HI/c1-17-6-5-14-12(13)15-8-9-7-10(18-2)3-4-11(9)16;/h3-4,7,16H,5-6,8H2,1-2H3,(H3,13,14,15);1H.
What are the key properties of 2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide has a molecular weight of 381.21 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 111335917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).