2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide

C11H17BrIN3 — CID 110912322

IUPAC2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccccc1Br.I
InChIInChI=1S/C11H16BrN3.HI/c1-2-7-14-11(13)15-8-9-5-3-4-6-10(9)12;/h3-6H,2,7-8H2,1H3,(H3,13,14,15);1H
InChIKeyUWPPBVORFHQOCK-UHFFFAOYSA-N
MW398.09 g/mol
LogP2.88
Rot. Bonds4

About 2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide

2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide (PubChem CID 110912322) has the molecular formula C11H17BrIN3 and a molecular weight of 398.09 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide
PubChem CID110912322
Molecular FormulaC11H17BrIN3
Molecular Weight398.09 g/mol
Exact Mass396.97
IUPAC Name2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccccc1Br.I
InChIInChI=1S/C11H16BrN3.HI/c1-2-7-14-11(13)15-8-9-5-3-4-6-10(9)12;/h3-6H,2,7-8H2,1H3,(H3,13,14,15);1H
InChIKeyUWPPBVORFHQOCK-UHFFFAOYSA-N
XLogP2.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.09
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-methylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912166
2-[(2-bromophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912324
2-[(4-bromo-2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111808721
1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111038103
1-hexyl-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine
CID 111077305
2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914959
2-[(2-bromophenyl)methyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111045422
2-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-1-propylguanidine;hydroiodide
CID 111813439
2-(1H-indol-2-ylmethyl)-1-propylguanidine
CID 111087878
2-(furan-2-ylmethyl)-1-propylguanidine
CID 62362161
N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide
CID 123260709
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-hexylguanidine
CID 111034457

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide (CID 110912322) is 2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/Cc1ccccc1Br.I.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide?
The InChIKey is UWPPBVORFHQOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3.HI/c1-2-7-14-11(13)15-8-9-5-3-4-6-10(9)12;/h3-6H,2,7-8H2,1H3,(H3,13,14,15);1H.
What are the key properties of 2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide?
2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide has a molecular weight of 398.09 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 110912322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).