2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide

C15H17ClIN3 — CID 110925966

IUPAC2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CCc1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C15H16ClN3.HI/c16-14-9-5-4-6-12(14)10-11-18-15(17)19-13-7-2-1-3-8-13;/h1-9H,10-11H2,(H3,17,18,19);1H
InChIKeyWCMVSJLEXGXKTI-UHFFFAOYSA-N
MW401.68 g/mol
LogP3.93
Rot. Bonds4

About 2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide

2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide (PubChem CID 110925966) has the molecular formula C15H17ClIN3 and a molecular weight of 401.68 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide
PubChem CID110925966
Molecular FormulaC15H17ClIN3
Molecular Weight401.68 g/mol
Exact Mass401.02
IUPAC Name2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CCc1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C15H16ClN3.HI/c16-14-9-5-4-6-12(14)10-11-18-15(17)19-13-7-2-1-3-8-13;/h1-9H,10-11H2,(H3,17,18,19);1H
InChIKeyWCMVSJLEXGXKTI-UHFFFAOYSA-N
XLogP3.93
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 53.93
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

2-[2-(2-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111044381
1-tert-butyl-2-[2-(2-chlorophenyl)ethyl]guanidine
CID 111044364
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
1-butan-2-yl-2-[2-(2-chlorophenyl)ethyl]guanidine
CID 110920367
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide
CID 110918735
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
1-phenyl-2-[2-(3,4,5-trifluorophenyl)ethyl]guanidine;hydroiodide
CID 110017725
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrochloride
CID 138398183
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 111456543
1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
CID 55063925

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide (CID 110925966) is 2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide is I.N/C(=N\CCc1ccccc1Cl)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide?
The InChIKey is WCMVSJLEXGXKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3.HI/c16-14-9-5-4-6-12(14)10-11-18-15(17)19-13-7-2-1-3-8-13;/h1-9H,10-11H2,(H3,17,18,19);1H.
What are the key properties of 2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide?
2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide has a molecular weight of 401.68 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110925966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).