2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide

C19H24F2IN3O — CID 111823708

IUPAC2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
SMILESCC(C)c1cccc(N/C(N)=N/CC(C)(O)c2ccc(F)cc2F)c1.I
InChIInChI=1S/C19H23F2N3O.HI/c1-12(2)13-5-4-6-15(9-13)24-18(22)23-11-19(3,25)16-8-7-14(20)10-17(16)21;/h4-10,12,25H,11H2,1-3H3,(H3,22,23,24);1H
InChIKeyXQCORGOQRJTZEL-UHFFFAOYSA-N
MW475.32 g/mol
LogP4.34
Rot. Bonds5

About 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide

2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide (PubChem CID 111823708) has the molecular formula C19H24F2IN3O and a molecular weight of 475.32 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
PubChem CID111823708
Molecular FormulaC19H24F2IN3O
Molecular Weight475.32 g/mol
Exact Mass475.09
IUPAC Name2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
SMILESCC(C)c1cccc(N/C(N)=N/CC(C)(O)c2ccc(F)cc2F)c1.I
InChIInChI=1S/C19H23F2N3O.HI/c1-12(2)13-5-4-6-15(9-13)24-18(22)23-11-19(3,25)16-8-7-14(20)10-17(16)21;/h4-10,12,25H,11H2,1-3H3,(H3,22,23,24);1H
InChIKeyXQCORGOQRJTZEL-UHFFFAOYSA-N
XLogP4.34
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.32
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-tert-butyl-2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]guanidine
CID 111823785
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111819934
2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111823743
2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-hexylguanidine;hydroiodide
CID 111823786
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
2-[(4-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111025993
2-(2-tert-butylsulfinylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111811440
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111095325
2-[2-(3-fluorophenyl)-2-methylpropyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111816381
2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111810463
2-[(3-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111046293
2-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111080972

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide (CID 111823708) is 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide is CC(C)c1cccc(N/C(N)=N/CC(C)(O)c2ccc(F)cc2F)c1.I.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide?
The InChIKey is XQCORGOQRJTZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O.HI/c1-12(2)13-5-4-6-15(9-13)24-18(22)23-11-19(3,25)16-8-7-14(20)10-17(16)21;/h4-10,12,25H,11H2,1-3H3,(H3,22,23,24);1H.
What are the key properties of 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide?
2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide has a molecular weight of 475.32 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111823708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).