2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine

C19H21F2N3O — CID 111823743

IUPAC2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESCC(O)(C/N=C(\N)Nc1ccc2c(c1)CCC2)c1ccc(F)cc1F
InChIInChI=1S/C19H21F2N3O/c1-19(25,16-8-6-14(20)10-17(16)21)11-23-18(22)24-15-7-5-12-3-2-4-13(12)9-15/h5-10,25H,2-4,11H2,1H3,(H3,22,23,24)
InChIKeyZLMGVOJWSINQFJ-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.09
Rot. Bonds4

About 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine

2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine (PubChem CID 111823743) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
PubChem CID111823743
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESCC(O)(C/N=C(\N)Nc1ccc2c(c1)CCC2)c1ccc(F)cc1F
InChIInChI=1S/C19H21F2N3O/c1-19(25,16-8-6-14(20)10-17(16)21)11-23-18(22)24-15-7-5-12-3-2-4-13(12)9-15/h5-10,25H,2-4,11H2,1H3,(H3,22,23,24)
InChIKeyZLMGVOJWSINQFJ-UHFFFAOYSA-N
XLogP3.09
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.09
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'}

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Related Compounds

2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111823708
2-[(2,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111800997
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111044999
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-fluorophenyl)methyl]guanidine
CID 111044144
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088263
1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-fluoro-2-pyridinyl)methyl]guanidine
CID 119164322
2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-hexylguanidine;hydroiodide
CID 111823786
2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089429
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine;hydroiodide
CID 111082628
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
2-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111064556
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058156

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The IUPAC name of 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine (CID 111823743) is 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine is CC(O)(C/N=C(\N)Nc1ccc2c(c1)CCC2)c1ccc(F)cc1F.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The InChIKey is ZLMGVOJWSINQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-19(25,16-8-6-14(20)10-17(16)21)11-23-18(22)24-15-7-5-12-3-2-4-13(12)9-15/h5-10,25H,2-4,11H2,1H3,(H3,22,23,24).
What are the key properties of 2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine has a molecular weight of 345.39 g/mol, XLogP of 3.09, 4 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-(2,3-dihydro-1H-inden-5-yl)guanidine is sourced from PubChem (CID 111823743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).