3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol

C15H20FNO2 — CID 79709931

IUPAC3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
SMILESCCCN(CCO)Cc1cc(F)cc(C#CCO)c1
InChIInChI=1S/C15H20FNO2/c1-2-5-17(6-8-19)12-14-9-13(4-3-7-18)10-15(16)11-14/h9-11,18-19H,2,5-8,12H2,1H3
InChIKeyRDGPHGDOYLSAIK-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.37
Rot. Bonds6

About 3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol

3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol (PubChem CID 79709931) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
PubChem CID79709931
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
SMILESCCCN(CCO)Cc1cc(F)cc(C#CCO)c1
InChIInChI=1S/C15H20FNO2/c1-2-5-17(6-8-19)12-14-9-13(4-3-7-18)10-15(16)11-14/h9-11,18-19H,2,5-8,12H2,1H3
InChIKeyRDGPHGDOYLSAIK-UHFFFAOYSA-N
XLogP1.37
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 79697332
2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
CID 79673319
3-[3-[[ethyl(propyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79705664
4-[3-fluoro-5-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 79703818
2-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484873
3-[3-fluoro-5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 79698656
1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]propan-2-ol
CID 79710757
1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79710028
3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79710746
3-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]butanenitrile
CID 79710922
3-[3-fluoro-5-[[methyl-(4-methylcyclohexyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 79698357
4-[3-[(dimethylamino)methyl]-5-fluorophenyl]but-3-yn-1-ol
CID 79710151

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol (CID 79709931) is 3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol is CCCN(CCO)Cc1cc(F)cc(C#CCO)c1.
What is the InChIKey of 3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol?
The InChIKey is RDGPHGDOYLSAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-5-17(6-8-19)12-14-9-13(4-3-7-18)10-15(16)11-14/h9-11,18-19H,2,5-8,12H2,1H3.
What are the key properties of 3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol?
3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol has a molecular weight of 265.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 79709931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).