2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine

C12H17ClIN3 — CID 122082170

IUPAC2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCc1ccc(Cl)cc1I)N(C)C
InChIInChI=1S/C12H17ClIN3/c1-16(2)12(17(3)4)15-8-9-5-6-10(13)7-11(9)14/h5-7H,8H2,1-4H3
InChIKeyAXBREQCYFCVCTG-UHFFFAOYSA-N
MW365.65 g/mol
LogP2.92
Rot. Bonds2

About 2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine

2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 122082170) has the molecular formula C12H17ClIN3 and a molecular weight of 365.65 g/mol. Its IUPAC name is 2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine
PubChem CID122082170
Molecular FormulaC12H17ClIN3
Molecular Weight365.65 g/mol
Exact Mass365.02
IUPAC Name2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCc1ccc(Cl)cc1I)N(C)C
InChIInChI=1S/C12H17ClIN3/c1-16(2)12(17(3)4)15-8-9-5-6-10(13)7-11(9)14/h5-7H,8H2,1-4H3
InChIKeyAXBREQCYFCVCTG-UHFFFAOYSA-N
XLogP2.92
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.65
LogP ≤ 52.92
H-Bond Donors ≤ 50
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

4-chloro-1-ethyl-2-iodobenzene
CID 68984613
N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide
CID 122095649
2-[(4-chloro-2-iodophenyl)methyl]-1-cyclobutylguanidine
CID 122095651
2-(4-chloro-2-iodophenyl)ethanamine
CID 130050912
2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111044992
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111024780
3-[(4-chloro-2-iodophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 122012063
2-[3-(4-chloro-2-methylphenoxy)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111079500
2-[(2-ethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111044300
2-[2-(2-chloro-4-fluorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111812989
1,1,3,3-tetramethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046282

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine (CID 122082170) is 2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NCc1ccc(Cl)cc1I)N(C)C.
What is the InChIKey of 2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is AXBREQCYFCVCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClIN3/c1-16(2)12(17(3)4)15-8-9-5-6-10(13)7-11(9)14/h5-7H,8H2,1-4H3.
What are the key properties of 2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine?
2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 365.65 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 122082170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).