1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine

C15H16ClN3O — CID 162345442

IUPAC1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine
SMILESCc1ccc(O)cc1/N=C(\N)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H16ClN3O/c1-9-3-5-11(16)7-13(9)18-15(17)19-14-8-12(20)6-4-10(14)2/h3-8,20H,1-2H3,(H3,17,18,19)
InChIKeyQJFFLPFGZSXTKD-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.72
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine

1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine (PubChem CID 162345442) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine
PubChem CID162345442
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine
SMILESCc1ccc(O)cc1/N=C(\N)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H16ClN3O/c1-9-3-5-11(16)7-13(9)18-15(17)19-14-8-12(20)6-4-10(14)2/h3-8,20H,1-2H3,(H3,17,18,19)
InChIKeyQJFFLPFGZSXTKD-UHFFFAOYSA-N
XLogP3.72
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
methyl N'-[(5-chloro-2-methylphenyl)carbamothioyl]carbamimidothioate
CID 2730434
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333228
1-(5-chloro-2-methylphenyl)-3-methylthiourea
CID 2252731
4-[1-(5-chloro-2-methylanilino)ethyl]benzene-1,3-diol
CID 43189464
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671815
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
CID 107714478

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine (CID 162345442) is 1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine is Cc1ccc(O)cc1/N=C(\N)Nc1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine?
The InChIKey is QJFFLPFGZSXTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-3-5-11(16)7-13(9)18-15(17)19-14-8-12(20)6-4-10(14)2/h3-8,20H,1-2H3,(H3,17,18,19).
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine?
1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine has a molecular weight of 289.77 g/mol, XLogP of 3.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2-(5-hydroxy-2-methylphenyl)guanidine is sourced from PubChem (CID 162345442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).