2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide

C9H12Cl2IN3 — CID 110884485

IUPAC2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide
SMILESCC(N=C(N)N)c1ccc(Cl)cc1Cl.I
InChIInChI=1S/C9H11Cl2N3.HI/c1-5(14-9(12)13)7-3-2-6(10)4-8(7)11;/h2-5H,1H3,(H4,12,13,14);1H
InChIKeySAACDJJOVSYVRX-UHFFFAOYSA-N
MW360.03 g/mol
LogP2.95
Rot. Bonds2

About 2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide

2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide (PubChem CID 110884485) has the molecular formula C9H12Cl2IN3 and a molecular weight of 360.03 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide
PubChem CID110884485
Molecular FormulaC9H12Cl2IN3
Molecular Weight360.03 g/mol
Exact Mass358.95
IUPAC Name2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide
SMILESCC(N=C(N)N)c1ccc(Cl)cc1Cl.I
InChIInChI=1S/C9H11Cl2N3.HI/c1-5(14-9(12)13)7-3-2-6(10)4-8(7)11;/h2-5H,1H3,(H4,12,13,14);1H
InChIKeySAACDJJOVSYVRX-UHFFFAOYSA-N
XLogP2.95
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.03
LogP ≤ 52.95
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-amino-2-[1-(2,4-dichlorophenyl)ethyl]guanidine
CID 64869015
2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine
CID 62363836
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111023048
3-(2,4-dichlorophenyl)-2-methylbutanethioamide
CID 83928346
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
1-[1-(2,4-dichlorophenyl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111022400
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 120913701

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide (CID 110884485) is 2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide is CC(N=C(N)N)c1ccc(Cl)cc1Cl.I.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide?
The InChIKey is SAACDJJOVSYVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3.HI/c1-5(14-9(12)13)7-3-2-6(10)4-8(7)11;/h2-5H,1H3,(H4,12,13,14);1H.
What are the key properties of 2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide?
2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide has a molecular weight of 360.03 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110884485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).