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

C13H21ClIN3 — CID 111024780

IUPAC2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCCc1ccc(Cl)cc1)N(C)C.I
InChIInChI=1S/C13H20ClN3.HI/c1-16(2)13(17(3)4)15-10-9-11-5-7-12(14)8-6-11;/h5-8H,9-10H2,1-4H3;1H
InChIKeyNDBLLFXHIVTOCI-UHFFFAOYSA-N
MW381.69 g/mol
LogP2.98
Rot. Bonds3

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

2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111024780) has the molecular formula C13H21ClIN3 and a molecular weight of 381.69 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111024780
Molecular FormulaC13H21ClIN3
Molecular Weight381.69 g/mol
Exact Mass381.05
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCCc1ccc(Cl)cc1)N(C)C.I
InChIInChI=1S/C13H20ClN3.HI/c1-16(2)13(17(3)4)15-10-9-11-5-7-12(14)8-6-11;/h5-8H,9-10H2,1-4H3;1H
InChIKeyNDBLLFXHIVTOCI-UHFFFAOYSA-N
XLogP2.98
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.69
LogP ≤ 52.98
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'}

Analyze 2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111089152
2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111024094
N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide
CID 132967057
N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide
CID 55138229
N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide
CID 63178180
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
N'-[2-(4-chlorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955953
1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
CID 144747733
2-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111024765
2-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine
CID 97328084
1-[2-(4-chlorophenyl)ethyl]-2-[3-(dimethylamino)propyl]-3-ethylguanidine;hydroiodide
CID 111196363
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111024780) is 2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CN(C)C(=NCCc1ccc(Cl)cc1)N(C)C.I.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is NDBLLFXHIVTOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3.HI/c1-16(2)13(17(3)4)15-10-9-11-5-7-12(14)8-6-11;/h5-8H,9-10H2,1-4H3;1H.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 381.69 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111024780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).