5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol

C13H20FNO2 — CID 106131230

IUPAC5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
SMILESCC(O)CCCNCC(O)c1ccccc1F
InChIInChI=1S/C13H20FNO2/c1-10(16)5-4-8-15-9-13(17)11-6-2-3-7-12(11)14/h2-3,6-7,10,13,15-17H,4-5,8-9H2,1H3
InChIKeyQMYSHRXUVUCAGO-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.61
Rot. Bonds7

About 5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol

5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol (PubChem CID 106131230) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
PubChem CID106131230
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
SMILESCC(O)CCCNCC(O)c1ccccc1F
InChIInChI=1S/C13H20FNO2/c1-10(16)5-4-8-15-9-13(17)11-6-2-3-7-12(11)14/h2-3,6-7,10,13,15-17H,4-5,8-9H2,1H3
InChIKeyQMYSHRXUVUCAGO-UHFFFAOYSA-N
XLogP1.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
1-(2-fluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905464
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol
CID 54893307
2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
CID 62640651
1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol
CID 79358145
1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
CID 107165971
1-(2-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 114187759
N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 61022469
1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol
CID 164740523
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676
2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol
CID 114127447

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
The IUPAC name of 5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol (CID 106131230) is 5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
The canonical SMILES for 5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol is CC(O)CCCNCC(O)c1ccccc1F.
What is the InChIKey of 5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
The InChIKey is QMYSHRXUVUCAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-10(16)5-4-8-15-9-13(17)11-6-2-3-7-12(11)14/h2-3,6-7,10,13,15-17H,4-5,8-9H2,1H3.
What are the key properties of 5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol has a molecular weight of 241.31 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol is sourced from PubChem (CID 106131230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).