2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride

C18H23Cl2N3 — CID 45262054

IUPAC2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2cc(C)cc(CC)c2Cl)c1.Cl
InChIInChI=1S/C18H22ClN3.ClH/c1-4-13-7-6-8-15(11-13)21-18(20)22-16-10-12(3)9-14(5-2)17(16)19;/h6-11H,4-5H2,1-3H3,(H3,20,21,22);1H
InChIKeyUWFTYVCIRRAMBZ-UHFFFAOYSA-N
MW352.31 g/mol
LogP5.25
Rot. Bonds4

About 2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride

2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (PubChem CID 45262054) has the molecular formula C18H23Cl2N3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
PubChem CID45262054
Molecular FormulaC18H23Cl2N3
Molecular Weight352.31 g/mol
Exact Mass351.13
IUPAC Name2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2cc(C)cc(CC)c2Cl)c1.Cl
InChIInChI=1S/C18H22ClN3.ClH/c1-4-13-7-6-8-15(11-13)21-18(20)22-16-10-12(3)9-14(5-2)17(16)19;/h6-11H,4-5H2,1-3H3,(H3,20,21,22);1H
InChIKeyUWFTYVCIRRAMBZ-UHFFFAOYSA-N
XLogP5.25
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.31
LogP ≤ 55.25
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-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The IUPAC name of 2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (CID 45262054) is 2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The canonical SMILES for 2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is CCc1cccc(N/C(N)=N/c2cc(C)cc(CC)c2Cl)c1.Cl.
What is the InChIKey of 2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The InChIKey is UWFTYVCIRRAMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3.ClH/c1-4-13-7-6-8-15(11-13)21-18(20)22-16-10-12(3)9-14(5-2)17(16)19;/h6-11H,4-5H2,1-3H3,(H3,20,21,22);1H.
What are the key properties of 2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride has a molecular weight of 352.31 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is sourced from PubChem (CID 45262054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).