2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine

C17H23N3O2 — CID 111819934

IUPAC2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CC(C)(O)c2ccco2)c1
InChIInChI=1S/C17H23N3O2/c1-12(2)13-6-4-7-14(10-13)20-16(18)19-11-17(3,21)15-8-5-9-22-15/h4-10,12,21H,11H2,1-3H3,(H3,18,19,20)
InChIKeyRGLZQNHTTGDSIL-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.04
Rot. Bonds5

About 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine

2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111819934) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111819934
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CC(C)(O)c2ccco2)c1
InChIInChI=1S/C17H23N3O2/c1-12(2)13-6-4-7-14(10-13)20-16(18)19-11-17(3,21)15-8-5-9-22-15/h4-10,12,21H,11H2,1-3H3,(H3,18,19,20)
InChIKeyRGLZQNHTTGDSIL-UHFFFAOYSA-N
XLogP3.04
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.04
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'}

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Related Compounds

2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111819927
2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111823708
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111819956
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
2-(2-tert-butylsulfinylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111811440
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111819936
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111091225
2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111799934
2-(2-ethylsulfonylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111100417
2-[(4-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111025993
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111672065
2-[(2,5-dimethylfuran-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111813210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine (CID 111819934) is 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine is CC(C)c1cccc(N/C(N)=N/CC(C)(O)c2ccco2)c1.
What is the InChIKey of 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is RGLZQNHTTGDSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)13-6-4-7-14(10-13)20-16(18)19-11-17(3,21)15-8-5-9-22-15/h4-10,12,21H,11H2,1-3H3,(H3,18,19,20).
What are the key properties of 2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine?
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 301.39 g/mol, XLogP of 3.04, 5 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-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111819934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).