1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide

C19H27IN4O3 — CID 111037549

IUPAC1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CC(c2ccc(C)o2)N2CCOCC2)c1.I
InChIInChI=1S/C19H26N4O3.HI/c1-14-6-7-18(26-14)17(23-8-10-25-11-9-23)13-21-19(20)22-15-4-3-5-16(12-15)24-2;/h3-7,12,17H,8-11,13H2,1-2H3,(H3,20,21,22);1H
InChIKeyLQIAVGHIMUUPTG-UHFFFAOYSA-N
MW486.35 g/mol
LogP3.01
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide

1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide (PubChem CID 111037549) has the molecular formula C19H27IN4O3 and a molecular weight of 486.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
PubChem CID111037549
Molecular FormulaC19H27IN4O3
Molecular Weight486.35 g/mol
Exact Mass486.11
IUPAC Name1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CC(c2ccc(C)o2)N2CCOCC2)c1.I
InChIInChI=1S/C19H26N4O3.HI/c1-14-6-7-18(26-14)17(23-8-10-25-11-9-23)13-21-19(20)22-15-4-3-5-16(12-15)24-2;/h3-7,12,17H,8-11,13H2,1-2H3,(H3,20,21,22);1H
InChIKeyLQIAVGHIMUUPTG-UHFFFAOYSA-N
XLogP3.01
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]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

2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111098614
1-(4-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111096010
2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111096065
2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111032217
1-(2,5-dimethoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111096057
1-(3-methoxyphenyl)-2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111085938
1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111037574
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111098618
1-(2-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111096007
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(3-methylphenyl)guanidine
CID 111028236
1-(3-methoxyphenyl)-2-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111063059
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide (CID 111037549) is 1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide is COc1cccc(N/C(N)=N/CC(c2ccc(C)o2)N2CCOCC2)c1.I.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide?
The InChIKey is LQIAVGHIMUUPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.HI/c1-14-6-7-18(26-14)17(23-8-10-25-11-9-23)13-21-19(20)22-15-4-3-5-16(12-15)24-2;/h3-7,12,17H,8-11,13H2,1-2H3,(H3,20,21,22);1H.
What are the key properties of 1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide?
1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide has a molecular weight of 486.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide is sourced from PubChem (CID 111037549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).