1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine

C19H26N4O2 — CID 111029946

IUPAC1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CCCN(C)c2ccccc2)c1
InChIInChI=1S/C19H26N4O2/c1-23(15-8-5-4-6-9-15)13-7-12-21-19(20)22-17-14-16(24-2)10-11-18(17)25-3/h4-6,8-11,14H,7,12-13H2,1-3H3,(H3,20,21,22)
InChIKeyLSSQWSKRBHUMRI-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.96
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine

1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine (PubChem CID 111029946) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine
PubChem CID111029946
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CCCN(C)c2ccccc2)c1
InChIInChI=1S/C19H26N4O2/c1-23(15-8-5-4-6-9-15)13-7-12-21-19(20)22-17-14-16(24-2)10-11-18(17)25-3/h4-6,8-11,14H,7,12-13H2,1-3H3,(H3,20,21,22)
InChIKeyLSSQWSKRBHUMRI-UHFFFAOYSA-N
XLogP2.96
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
CID 111023903
1-(3,4-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111029939
1-(2,5-dimethoxyphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085764
2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111022703
1-(2,5-dimethoxyphenyl)-2-(4-methylpentyl)guanidine;hydroiodide
CID 111054914
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111029925
2-(2-benzylsulfinylethyl)-1-(2,5-dimethoxyphenyl)guanidine
CID 111807830
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111057300
1-(2,5-dimethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)butyl]guanidine
CID 111061953
1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069802
2-but-3-ynyl-1-(2,5-dimethoxyphenyl)guanidine
CID 119147803

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine (CID 111029946) is 1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine is COc1ccc(OC)c(N/C(N)=N/CCCN(C)c2ccccc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine?
The InChIKey is LSSQWSKRBHUMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-23(15-8-5-4-6-9-15)13-7-12-21-19(20)22-17-14-16(24-2)10-11-18(17)25-3/h4-6,8-11,14H,7,12-13H2,1-3H3,(H3,20,21,22).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine?
1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine has a molecular weight of 342.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine is sourced from PubChem (CID 111029946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).