4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol

C18H24FNO — CID 83219732

IUPAC4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol
SMILESCCC1CCC(C)N1Cc1ccc(F)cc1C#CCCO
InChIInChI=1S/C18H24FNO/c1-3-18-10-7-14(2)20(18)13-16-8-9-17(19)12-15(16)6-4-5-11-21/h8-9,12,14,18,21H,3,5,7,10-11,13H2,1-2H3
InChIKeyMXAQZJXTDQNLBL-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.32
Rot. Bonds4

About 4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol

4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol (PubChem CID 83219732) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol
PubChem CID83219732
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol
SMILESCCC1CCC(C)N1Cc1ccc(F)cc1C#CCCO
InChIInChI=1S/C18H24FNO/c1-3-18-10-7-14(2)20(18)13-16-8-9-17(19)12-15(16)6-4-5-11-21/h8-9,12,14,18,21H,3,5,7,10-11,13H2,1-2H3
InChIKeyMXAQZJXTDQNLBL-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]pyrrolidin-3-ol
CID 55131365
4-[2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-fluorophenyl]but-3-yn-1-ol
CID 63954826
4-[2-[[cyclobutylmethyl(ethyl)amino]methyl]-5-fluorophenyl]but-3-yn-1-ol
CID 107400834
1-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-methylpyrrolidin-3-ol
CID 103357996
2-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]isoindole-1,3-dione
CID 131057841
3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 83221661
4-[2-(cyclohexylmethoxymethyl)-5-fluorophenyl]but-3-yn-1-ol
CID 62383929
4-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-2-carbonitrile
CID 79670510
1-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 103500812
4-[5-fluoro-2-(oxan-4-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 62383041
3-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]-1,3-thiazol-2-one
CID 55206177
1-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]-5-methylpyrimidin-2-one
CID 63206092

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol (CID 83219732) is 4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol is CCC1CCC(C)N1Cc1ccc(F)cc1C#CCCO.
What is the InChIKey of 4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol?
The InChIKey is MXAQZJXTDQNLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-3-18-10-7-14(2)20(18)13-16-8-9-17(19)12-15(16)6-4-5-11-21/h8-9,12,14,18,21H,3,5,7,10-11,13H2,1-2H3.
What are the key properties of 4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol?
4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol has a molecular weight of 289.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol is sourced from PubChem (CID 83219732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).