2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol

C16H21FN2O — CID 139319154

IUPAC2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol
SMILESCc1cc(C(O)CN(C)C)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O/c1-11-9-15(16(20)10-18(3)4)12(2)19(11)14-7-5-13(17)6-8-14/h5-9,16,20H,10H2,1-4H3
InChIKeyDICFLZMEZBMLMH-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.83
Rot. Bonds4

About 2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol

2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol (PubChem CID 139319154) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol
PubChem CID139319154
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol
SMILESCc1cc(C(O)CN(C)C)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O/c1-11-9-15(16(20)10-18(3)4)12(2)19(11)14-7-5-13(17)6-8-14/h5-9,16,20H,10H2,1-4H3
InChIKeyDICFLZMEZBMLMH-UHFFFAOYSA-N
XLogP2.83
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-fluoropiperidin-1-yl)ethanol
CID 156523222
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(methylamino)ethanone
CID 53355375
N-[(2R)-2,3-dihydroxypropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 97003403
N-[(2S)-2,3-dihydroxypropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 97003402
1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 47101401
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propane-1,2,3-triol
CID 170819208
1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 31843746
2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid
CID 155135193
2-(2,5-dimethylphenyl)sulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 4223293
2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881116
(4R)-4-amino-4-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]butanoic acid
CID 165344001
2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
CID 114726918

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol?
The IUPAC name of 2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol (CID 139319154) is 2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol?
The canonical SMILES for 2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol is Cc1cc(C(O)CN(C)C)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol?
The InChIKey is DICFLZMEZBMLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-11-9-15(16(20)10-18(3)4)12(2)19(11)14-7-5-13(17)6-8-14/h5-9,16,20H,10H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol?
2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol has a molecular weight of 276.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanol is sourced from PubChem (CID 139319154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).