2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride

C15H17Cl2N3 — CID 45262068

IUPAC2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2ccc(Cl)cc2)c1.Cl
InChIInChI=1S/C15H16ClN3.ClH/c1-2-11-4-3-5-14(10-11)19-15(17)18-13-8-6-12(16)7-9-13;/h3-10H,2H2,1H3,(H3,17,18,19);1H
InChIKeyVIIFPBWIGGTWSC-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.38
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride

2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (PubChem CID 45262068) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
PubChem CID45262068
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2ccc(Cl)cc2)c1.Cl
InChIInChI=1S/C15H16ClN3.ClH/c1-2-11-4-3-5-14(10-11)19-15(17)18-13-8-6-12(16)7-9-13;/h3-10H,2H2,1H3,(H3,17,18,19);1H
InChIKeyVIIFPBWIGGTWSC-UHFFFAOYSA-N
XLogP4.38
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.38
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-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (CID 45262068) is 2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is CCc1cccc(N/C(N)=N/c2ccc(Cl)cc2)c1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The InChIKey is VIIFPBWIGGTWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3.ClH/c1-2-11-4-3-5-14(10-11)19-15(17)18-13-8-6-12(16)7-9-13;/h3-10H,2H2,1H3,(H3,17,18,19);1H.
What are the key properties of 2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride has a molecular weight of 310.23 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is sourced from PubChem (CID 45262068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).