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

C15H20FNO2 — CID 63009869

IUPAC3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol
SMILESCOCCCN(C)Cc1ccc(F)c(C#CCO)c1
InChIInChI=1S/C15H20FNO2/c1-17(8-4-10-19-2)12-13-6-7-15(16)14(11-13)5-3-9-18/h6-7,11,18H,4,8-10,12H2,1-2H3
InChIKeyGZWHIRILCTVSOG-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.64
Rot. Bonds6

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

3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol (PubChem CID 63009869) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol
PubChem CID63009869
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol
SMILESCOCCCN(C)Cc1ccc(F)c(C#CCO)c1
InChIInChI=1S/C15H20FNO2/c1-17(8-4-10-19-2)12-13-6-7-15(16)14(11-13)5-3-9-18/h6-7,11,18H,4,8-10,12H2,1-2H3
InChIKeyGZWHIRILCTVSOG-UHFFFAOYSA-N
XLogP1.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol (CID 63009869) is 3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol is COCCCN(C)Cc1ccc(F)c(C#CCO)c1.
What is the InChIKey of 3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol?
The InChIKey is GZWHIRILCTVSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-17(8-4-10-19-2)12-13-6-7-15(16)14(11-13)5-3-9-18/h6-7,11,18H,4,8-10,12H2,1-2H3.
What are the key properties of 3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol?
3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol has a molecular weight of 265.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 63009869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).