2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride

C19H25BrClN3 — CID 45262103

IUPAC2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2cc(CC)cc(CC)c2Br)c1.Cl
InChIInChI=1S/C19H24BrN3.ClH/c1-4-13-8-7-9-16(11-13)22-19(21)23-17-12-14(5-2)10-15(6-3)18(17)20;/h7-12H,4-6H2,1-3H3,(H3,21,22,23);1H
InChIKeyQFKXUDOAENOBQU-UHFFFAOYSA-N
MW410.79 g/mol
LogP5.62
Rot. Bonds5

About 2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride

2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (PubChem CID 45262103) has the molecular formula C19H25BrClN3 and a molecular weight of 410.79 g/mol. Its IUPAC name is 2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
PubChem CID45262103
Molecular FormulaC19H25BrClN3
Molecular Weight410.79 g/mol
Exact Mass409.09
IUPAC Name2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2cc(CC)cc(CC)c2Br)c1.Cl
InChIInChI=1S/C19H24BrN3.ClH/c1-4-13-8-7-9-16(11-13)22-19(21)23-17-12-14(5-2)10-15(6-3)18(17)20;/h7-12H,4-6H2,1-3H3,(H3,21,22,23);1H
InChIKeyQFKXUDOAENOBQU-UHFFFAOYSA-N
XLogP5.62
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.79
LogP ≤ 55.62
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-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The IUPAC name of 2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (CID 45262103) is 2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The canonical SMILES for 2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is CCc1cccc(N/C(N)=N/c2cc(CC)cc(CC)c2Br)c1.Cl.
What is the InChIKey of 2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The InChIKey is QFKXUDOAENOBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3.ClH/c1-4-13-8-7-9-16(11-13)22-19(21)23-17-12-14(5-2)10-15(6-3)18(17)20;/h7-12H,4-6H2,1-3H3,(H3,21,22,23);1H.
What are the key properties of 2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride has a molecular weight of 410.79 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is sourced from PubChem (CID 45262103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).