2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide

C15H20IN3O2 — CID 111819927

IUPAC2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide
SMILESCc1cccc(N/C(N)=N/CC(C)(O)c2ccco2)c1.I
InChIInChI=1S/C15H19N3O2.HI/c1-11-5-3-6-12(9-11)18-14(16)17-10-15(2,19)13-7-4-8-20-13;/h3-9,19H,10H2,1-2H3,(H3,16,17,18);1H
InChIKeyPEJXNOPGLJGTNV-UHFFFAOYSA-N
MW401.25 g/mol
LogP2.84
Rot. Bonds4

About 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide

2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide (PubChem CID 111819927) has the molecular formula C15H20IN3O2 and a molecular weight of 401.25 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide
PubChem CID111819927
Molecular FormulaC15H20IN3O2
Molecular Weight401.25 g/mol
Exact Mass401.06
IUPAC Name2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide
SMILESCc1cccc(N/C(N)=N/CC(C)(O)c2ccco2)c1.I
InChIInChI=1S/C15H19N3O2.HI/c1-11-5-3-6-12(9-11)18-14(16)17-10-15(2,19)13-7-4-8-20-13;/h3-9,19H,10H2,1-2H3,(H3,16,17,18);1H
InChIKeyPEJXNOPGLJGTNV-UHFFFAOYSA-N
XLogP2.84
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 52.84
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111819934
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111819956
1-(3-methylphenyl)-2-(2,2,4-trimethylpentyl)guanidine;hydroiodide
CID 111911361
1-(3,5-dimethylphenyl)-2-(2-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111823558
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111672065
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111095325
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111819936
2-butyl-1-(3-methylphenyl)guanidine;hydroiodide
CID 111023150
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-octylguanidine
CID 111819960
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(3-methylphenyl)guanidine
CID 119147836
1-(3-methylphenyl)-2-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111045993
2-(3-hydroxypropyl)-1-(3-methylphenyl)guanidine
CID 111023654

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide (CID 111819927) is 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide is Cc1cccc(N/C(N)=N/CC(C)(O)c2ccco2)c1.I.
What is the InChIKey of 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide?
The InChIKey is PEJXNOPGLJGTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.HI/c1-11-5-3-6-12(9-11)18-14(16)17-10-15(2,19)13-7-4-8-20-13;/h3-9,19H,10H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide?
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide has a molecular weight of 401.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111819927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).