2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine

C19H24ClN3O2 — CID 111073571

IUPAC2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CC(C)(C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H24ClN3O2/c1-19(2,13-5-7-14(20)8-6-13)12-22-18(21)23-15-9-10-16(24-3)17(11-15)25-4/h5-11H,12H2,1-4H3,(H3,21,22,23)
InChIKeyOMWSUFJJAHQUEC-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.06
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine

2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine (PubChem CID 111073571) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine
PubChem CID111073571
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CC(C)(C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H24ClN3O2/c1-19(2,13-5-7-14(20)8-6-13)12-22-18(21)23-15-9-10-16(24-3)17(11-15)25-4/h5-11H,12H2,1-4H3,(H3,21,22,23)
InChIKeyOMWSUFJJAHQUEC-UHFFFAOYSA-N
XLogP4.06
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]guanidine
CID 111805160
1-(3,4-dimethoxyphenyl)-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111062865
1-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111814690
1-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111814689
1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111089665
1-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111089684
2-[(4-tert-butylphenyl)methyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111045467
2-[2-(4-tert-butylphenoxy)ethyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111032388
1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine
CID 111823941
1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111823940
2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-propylguanidine
CID 111805182
2-[2-(tert-butylamino)ethyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111803382

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine (CID 111073571) is 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine is COc1ccc(N/C(N)=N/CC(C)(C)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine?
The InChIKey is OMWSUFJJAHQUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-19(2,13-5-7-14(20)8-6-13)12-22-18(21)23-15-9-10-16(24-3)17(11-15)25-4/h5-11H,12H2,1-4H3,(H3,21,22,23).
What are the key properties of 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine?
2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine has a molecular weight of 361.87 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dimethoxyphenyl)guanidine is sourced from PubChem (CID 111073571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).