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

C14H24N4O2 — CID 111023903

IUPAC1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CCCN(C)C)c1
InChIInChI=1S/C14H24N4O2/c1-18(2)9-5-8-16-14(15)17-12-10-11(19-3)6-7-13(12)20-4/h6-7,10H,5,8-9H2,1-4H3,(H3,15,16,17)
InChIKeyNBTZNYNTZWALLY-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.38
Rot. Bonds7

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

1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine (PubChem CID 111023903) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
PubChem CID111023903
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CCCN(C)C)c1
InChIInChI=1S/C14H24N4O2/c1-18(2)9-5-8-16-14(15)17-12-10-11(19-3)6-7-13(12)20-4/h6-7,10H,5,8-9H2,1-4H3,(H3,15,16,17)
InChIKeyNBTZNYNTZWALLY-UHFFFAOYSA-N
XLogP1.38
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.38
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-(N-methylanilino)propyl]guanidine
CID 111029946
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
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111057300
2-but-3-ynyl-1-(2,5-dimethoxyphenyl)guanidine
CID 119147803
2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111031749
2-[3-(2,4-dichlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111085042
2-[2-(4-chlorophenoxy)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111032340
1-(2,5-dimethoxyphenyl)-2-prop-2-enylguanidine
CID 111023982
1-(2,5-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfanylpropyl]guanidine;hydroiodide
CID 111027875

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine (CID 111023903) is 1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine is COc1ccc(OC)c(N/C(N)=N/CCCN(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine?
The InChIKey is NBTZNYNTZWALLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-18(2)9-5-8-16-14(15)17-12-10-11(19-3)6-7-13(12)20-4/h6-7,10H,5,8-9H2,1-4H3,(H3,15,16,17).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine?
1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine has a molecular weight of 280.37 g/mol, XLogP of 1.38, 7 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-(dimethylamino)propyl]guanidine is sourced from PubChem (CID 111023903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).