2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine

C18H23N3O2 — CID 111045820

IUPAC2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine
SMILESCOc1cccc(C/N=C(\N)Nc2ccc(C)c(C)c2)c1OC
InChIInChI=1S/C18H23N3O2/c1-12-8-9-15(10-13(12)2)21-18(19)20-11-14-6-5-7-16(22-3)17(14)23-4/h5-10H,11H2,1-4H3,(H3,19,20,21)
InChIKeyHAEMGRXPXWHQBX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.25
Rot. Bonds5

About 2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine

2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine (PubChem CID 111045820) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine
PubChem CID111045820
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine
SMILESCOc1cccc(C/N=C(\N)Nc2ccc(C)c(C)c2)c1OC
InChIInChI=1S/C18H23N3O2/c1-12-8-9-15(10-13(12)2)21-18(19)20-11-14-6-5-7-16(22-3)17(14)23-4/h5-10H,11H2,1-4H3,(H3,19,20,21)
InChIKeyHAEMGRXPXWHQBX-UHFFFAOYSA-N
XLogP3.25
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.25
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-dimethylphenyl)-2-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111037945
1-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111024356
2-[(2,3-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 75419036
2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111811390
2-[(2,5-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111800959
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111025971
2-[(2,3-dimethoxyphenyl)methyl]-1-hexylguanidine
CID 111045824
2-[(2-bromophenyl)methyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111045422
1-(3-ethylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methyl]guanidine
CID 111099962
1-(3,4-dimethylphenyl)-2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111809081
1-(3,4-dimethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045947
1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031398

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine (CID 111045820) is 2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine is COc1cccc(C/N=C(\N)Nc2ccc(C)c(C)c2)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine?
The InChIKey is HAEMGRXPXWHQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-8-9-15(10-13(12)2)21-18(19)20-11-14-6-5-7-16(22-3)17(14)23-4/h5-10H,11H2,1-4H3,(H3,19,20,21).
What are the key properties of 2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine?
2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine has a molecular weight of 313.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)guanidine is sourced from PubChem (CID 111045820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).