2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride

C15H16Cl3N3 — CID 45262069

IUPAC2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2c(Cl)cccc2Cl)c1.Cl
InChIInChI=1S/C15H15Cl2N3.ClH/c1-2-10-5-3-6-11(9-10)19-15(18)20-14-12(16)7-4-8-13(14)17;/h3-9H,2H2,1H3,(H3,18,19,20);1H
InChIKeyHCULZJHUMXBCIY-UHFFFAOYSA-N
MW344.67 g/mol
LogP5.04
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride

2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (PubChem CID 45262069) has the molecular formula C15H16Cl3N3 and a molecular weight of 344.67 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
PubChem CID45262069
Molecular FormulaC15H16Cl3N3
Molecular Weight344.67 g/mol
Exact Mass343.04
IUPAC Name2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2c(Cl)cccc2Cl)c1.Cl
InChIInChI=1S/C15H15Cl2N3.ClH/c1-2-10-5-3-6-11(9-10)19-15(18)20-14-12(16)7-4-8-13(14)17;/h3-9H,2H2,1H3,(H3,18,19,20);1H
InChIKeyHCULZJHUMXBCIY-UHFFFAOYSA-N
XLogP5.04
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.67
LogP ≤ 55.04
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (CID 45262069) is 2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is CCc1cccc(N/C(N)=N/c2c(Cl)cccc2Cl)c1.Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The InChIKey is HCULZJHUMXBCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3.ClH/c1-2-10-5-3-6-11(9-10)19-15(18)20-14-12(16)7-4-8-13(14)17;/h3-9H,2H2,1H3,(H3,18,19,20);1H.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride has a molecular weight of 344.67 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is sourced from PubChem (CID 45262069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).