1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide

C12H19ClIN3 — CID 111175114

IUPAC1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCc1ccccc1Cl.I
InChIInChI=1S/C12H18ClN3.HI/c1-3-8-15-12(14-2)16-9-10-6-4-5-7-11(10)13;/h4-7H,3,8-9H2,1-2H3,(H2,14,15,16);1H
InChIKeyZNZDTYBXDFEJNK-UHFFFAOYSA-N
MW367.66 g/mol
LogP3.03
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide

1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide (PubChem CID 111175114) has the molecular formula C12H19ClIN3 and a molecular weight of 367.66 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
PubChem CID111175114
Molecular FormulaC12H19ClIN3
Molecular Weight367.66 g/mol
Exact Mass367.03
IUPAC Name1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCc1ccccc1Cl.I
InChIInChI=1S/C12H18ClN3.HI/c1-3-8-15-12(14-2)16-9-10-6-4-5-7-11(10)13;/h4-7H,3,8-9H2,1-2H3,(H2,14,15,16);1H
InChIKeyZNZDTYBXDFEJNK-UHFFFAOYSA-N
XLogP3.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 53.03
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-chlorophenyl)methyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135298
2-methyl-1-[(2-methylphenyl)methyl]-3-propylguanidine;hydroiodide
CID 111225502
1-benzyl-3-[(2-chlorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 110953529
1-[(2-chlorophenyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778388
1-[(2-chlorophenyl)methyl]-3-[2-[ethyl(propyl)amino]ethyl]-2-methylguanidine
CID 111835467
1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine;hydroiodide
CID 111604958
1-[2-[butyl(methyl)amino]ethyl]-3-[(2-chlorophenyl)methyl]-2-methylguanidine
CID 111781588
1-[2-(tert-butylamino)ethyl]-3-[(2-chlorophenyl)methyl]-2-methylguanidine
CID 111761765
1-[(2-chlorophenyl)methyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111175620
1-[(2-chlorophenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111175183
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-propylguanidine
CID 111227039
1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine
CID 111604959

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide (CID 111175114) is 1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide is CCCN/C(=N\C)NCc1ccccc1Cl.I.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide?
The InChIKey is ZNZDTYBXDFEJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3.HI/c1-3-8-15-12(14-2)16-9-10-6-4-5-7-11(10)13;/h4-7H,3,8-9H2,1-2H3,(H2,14,15,16);1H.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide?
1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide has a molecular weight of 367.66 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111175114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).