1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide

C11H17ClIN3 — CID 110914009

IUPAC1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCc1ccc(Cl)cc1.I
InChIInChI=1S/C11H16ClN3.HI/c1-13-11(14-2)15-8-7-9-3-5-10(12)6-4-9;/h3-6H,7-8H2,1-2H3,(H2,13,14,15);1H
InChIKeyDBSXOEZFCVEYSL-UHFFFAOYSA-N
MW353.64 g/mol
LogP2.30
Rot. Bonds3

About 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide

1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 110914009) has the molecular formula C11H17ClIN3 and a molecular weight of 353.64 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID110914009
Molecular FormulaC11H17ClIN3
Molecular Weight353.64 g/mol
Exact Mass353.02
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCc1ccc(Cl)cc1.I
InChIInChI=1S/C11H16ClN3.HI/c1-13-11(14-2)15-8-7-9-3-5-10(12)6-4-9;/h3-6H,7-8H2,1-2H3,(H2,13,14,15);1H
InChIKeyDBSXOEZFCVEYSL-UHFFFAOYSA-N
XLogP2.30
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 52.30
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-(4-methoxyphenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110913986
1-[2-(4-chlorophenyl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111196239
1-[2-(4-chlorophenyl)ethyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111196507
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949000
1-(2-butoxyethyl)-3-[2-(4-chlorophenyl)ethyl]-2-methylguanidine
CID 111196648
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111196680
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111197149
1,2-dimethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 110914587
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111197405
1-[2-(4-chlorophenyl)ethyl]-3-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylguanidine;hydroiodide
CID 111828536
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111196732
1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 111573047

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide (CID 110914009) is 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCCc1ccc(Cl)cc1.I.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is DBSXOEZFCVEYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3.HI/c1-13-11(14-2)15-8-7-9-3-5-10(12)6-4-9;/h3-6H,7-8H2,1-2H3,(H2,13,14,15);1H.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide?
1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 353.64 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 110914009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).