2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide

C9H12Cl2IN3 — CID 51131579

IUPAC2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide
SMILESI.NC(N)=NCCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H11Cl2N3.HI/c10-7-2-1-3-8(11)6(7)4-5-14-9(12)13;/h1-3H,4-5H2,(H4,12,13,14);1H
InChIKeyGLCTUPBTTJUNOB-UHFFFAOYSA-N
MW360.03 g/mol
LogP2.43
Rot. Bonds3

About 2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide

2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide (PubChem CID 51131579) has the molecular formula C9H12Cl2IN3 and a molecular weight of 360.03 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide
PubChem CID51131579
Molecular FormulaC9H12Cl2IN3
Molecular Weight360.03 g/mol
Exact Mass358.95
IUPAC Name2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide
SMILESI.NC(N)=NCCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H11Cl2N3.HI/c10-7-2-1-3-8(11)6(7)4-5-14-9(12)13;/h1-3H,4-5H2,(H4,12,13,14);1H
InChIKeyGLCTUPBTTJUNOB-UHFFFAOYSA-N
XLogP2.43
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.03
LogP ≤ 52.43
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

1-[2-(2,6-dichlorophenyl)ethyl]-2-propylguanidine;hydroiodide
CID 111078654
2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine
CID 154250335
2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide
CID 110918726
N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
CID 171391513
N'-amino-2-(2,6-dichlorophenyl)ethanimidamide
CID 76923044
2-[2-(2,6-dichlorophenyl)ethylideneamino]guanidine
CID 140896130
2-(2,6-dichlorophenyl)ethylazanium
CID 6951285
(1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride
CID 59264862
[amino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]azanium
CID 3733113
N'-[3-(2,6-dichlorophenyl)propylamino]ethanimidamide
CID 23563785
N-[2-[[N'-[2-(2,6-dichlorophenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927507
2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
CID 167747614

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide (CID 51131579) is 2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide is I.NC(N)=NCCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide?
The InChIKey is GLCTUPBTTJUNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3.HI/c10-7-2-1-3-8(11)6(7)4-5-14-9(12)13;/h1-3H,4-5H2,(H4,12,13,14);1H.
What are the key properties of 2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide?
2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide has a molecular weight of 360.03 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 51131579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).