1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide

C11H17BrIN3O — CID 110930285

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCc1cc(Br)ccc1OC.I
InChIInChI=1S/C11H16BrN3O.HI/c1-13-11(14-2)15-7-8-6-9(12)4-5-10(8)16-3;/h4-6H,7H2,1-3H3,(H2,13,14,15);1H
InChIKeyAIXBPYOQESZFOZ-UHFFFAOYSA-N
MW414.09 g/mol
LogP2.37
Rot. Bonds3

About 1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide

1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 110930285) has the molecular formula C11H17BrIN3O and a molecular weight of 414.09 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID110930285
Molecular FormulaC11H17BrIN3O
Molecular Weight414.09 g/mol
Exact Mass412.96
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCc1cc(Br)ccc1OC.I
InChIInChI=1S/C11H16BrN3O.HI/c1-13-11(14-2)15-7-8-6-9(12)4-5-10(8)16-3;/h4-6H,7H2,1-3H3,(H2,13,14,15);1H
InChIKeyAIXBPYOQESZFOZ-UHFFFAOYSA-N
XLogP2.37
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.09
LogP ≤ 52.37
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-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine
CID 110930286
1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228472
1-[(5-bromo-2-methoxyphenyl)methyl]-3-butyl-2-methylguanidine;hydroiodide
CID 111150893
1-[(5-bromo-2-methoxyphenyl)methyl]-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 110934926
1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948881
1,2-dimethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 110893051
1-[(5-bromo-2-methoxyphenyl)methyl]-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111382386
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111014810
1-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
CID 111391627
1-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111700122
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide (CID 110930285) is 1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCc1cc(Br)ccc1OC.I.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is AIXBPYOQESZFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O.HI/c1-13-11(14-2)15-7-8-6-9(12)4-5-10(8)16-3;/h4-6H,7H2,1-3H3,(H2,13,14,15);1H.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide?
1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 414.09 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 110930285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).