2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

C14H20IN3O2 — CID 111071410

IUPAC2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/Cc1cc2ccccc2o1.I
InChIInChI=1S/C14H19N3O2.HI/c1-10(9-18-2)17-14(15)16-8-12-7-11-5-3-4-6-13(11)19-12;/h3-7,10H,8-9H2,1-2H3,(H3,15,16,17);1H
InChIKeyKPVAGMOKBYSXFD-UHFFFAOYSA-N
MW389.24 g/mol
LogP2.49
Rot. Bonds5

About 2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111071410) has the molecular formula C14H20IN3O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111071410
Molecular FormulaC14H20IN3O2
Molecular Weight389.24 g/mol
Exact Mass389.06
IUPAC Name2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/Cc1cc2ccccc2o1.I
InChIInChI=1S/C14H19N3O2.HI/c1-10(9-18-2)17-14(15)16-8-12-7-11-5-3-4-6-13(11)19-12;/h3-7,10H,8-9H2,1-2H3,(H3,15,16,17);1H
InChIKeyKPVAGMOKBYSXFD-UHFFFAOYSA-N
XLogP2.49
TPSA72.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 52.49
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)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-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111818050
2-(1-benzofuran-2-ylmethyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111071333
1-(1-methoxypropan-2-yl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046375
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
1-(1-methoxypropan-2-yl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031466
2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111817664
2-[[4-(methoxymethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053894
2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111026675
2-[(3-bromophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044563
2-(1-benzofuran-2-ylmethyl)-1-(4-ethylphenyl)guanidine
CID 111071368
2-[(2-ethoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044339
1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine
CID 122082754

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111071410) is 2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is COCC(C)N/C(N)=N/Cc1cc2ccccc2o1.I.
What is the InChIKey of 2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is KPVAGMOKBYSXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.HI/c1-10(9-18-2)17-14(15)16-8-12-7-11-5-3-4-6-13(11)19-12;/h3-7,10H,8-9H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 389.24 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111071410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).