1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide

C15H26IN3O3 — CID 111051903

IUPAC1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1ccc(OC)c(OC)c1OC.I
InChIInChI=1S/C15H25N3O3.HI/c1-6-18(7-2)15(16)17-10-11-8-9-12(19-3)14(21-5)13(11)20-4;/h8-9H,6-7,10H2,1-5H3,(H2,16,17);1H
InChIKeyBRCFPHNHJAAVNX-UHFFFAOYSA-N
MW423.30 g/mol
LogP2.49
Rot. Bonds7

About 1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide

1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide (PubChem CID 111051903) has the molecular formula C15H26IN3O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
PubChem CID111051903
Molecular FormulaC15H26IN3O3
Molecular Weight423.30 g/mol
Exact Mass423.10
IUPAC Name1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1ccc(OC)c(OC)c1OC.I
InChIInChI=1S/C15H25N3O3.HI/c1-6-18(7-2)15(16)17-10-11-8-9-12(19-3)14(21-5)13(11)20-4;/h8-9H,6-7,10H2,1-5H3,(H2,16,17);1H
InChIKeyBRCFPHNHJAAVNX-UHFFFAOYSA-N
XLogP2.49
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide 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

1-butyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111051883
1-(2-methylpropyl)-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111051895
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide
CID 111053140
1,1-diethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111044977
2-[(4-chlorophenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111022759
1,1-diethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111026358
1-ethyl-3-[(2-methoxyphenyl)methyl]-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111217062
1,1-diethyl-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111070705
1,1-diethyl-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]guanidine
CID 75513863
1-cyclopentyl-3-ethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 110989872
1-ethyl-3-(2-ethylbutyl)-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine
CID 111891349
1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110030550

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide (CID 111051903) is 1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide is CCN(CC)/C(N)=N/Cc1ccc(OC)c(OC)c1OC.I.
What is the InChIKey of 1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide?
The InChIKey is BRCFPHNHJAAVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3.HI/c1-6-18(7-2)15(16)17-10-11-8-9-12(19-3)14(21-5)13(11)20-4;/h8-9H,6-7,10H2,1-5H3,(H2,16,17);1H.
What are the key properties of 1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide?
1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide has a molecular weight of 423.30 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111051903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).