1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol

C14H20FNO — CID 79188918

IUPAC1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
SMILESCC(O)c1ccc(N2CC(C)C(C)C2)c(F)c1
InChIInChI=1S/C14H20FNO/c1-9-7-16(8-10(9)2)14-5-4-12(11(3)17)6-13(14)15/h4-6,9-11,17H,7-8H2,1-3H3
InChIKeyLBQQSHAJETZIQP-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.97
Rot. Bonds2

About 1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol

1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol (PubChem CID 79188918) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
PubChem CID79188918
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
SMILESCC(O)c1ccc(N2CC(C)C(C)C2)c(F)c1
InChIInChI=1S/C14H20FNO/c1-9-7-16(8-10(9)2)14-5-4-12(11(3)17)6-13(14)15/h4-6,9-11,17H,7-8H2,1-3H3
InChIKeyLBQQSHAJETZIQP-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol 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-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
CID 43506027
(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79010590
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939132
1-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510
(1R)-1-[3-fluoro-4-(4-methylazepan-1-yl)phenyl]ethanol
CID 78946729
(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol
CID 78941148
(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939704
(1S)-1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-fluorophenyl]ethanol
CID 79934840
1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 43544807
(1R)-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941064
1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
CID 114172519

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol (CID 79188918) is 1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol is CC(O)c1ccc(N2CC(C)C(C)C2)c(F)c1.
What is the InChIKey of 1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol?
The InChIKey is LBQQSHAJETZIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9-7-16(8-10(9)2)14-5-4-12(11(3)17)6-13(14)15/h4-6,9-11,17H,7-8H2,1-3H3.
What are the key properties of 1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol?
1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol has a molecular weight of 237.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 79188918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).