1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol

C20H24FNO2 — CID 111489054

IUPAC1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol
SMILESOC(CN1CCC(COCc2ccccc2)C1)c1ccccc1F
InChIInChI=1S/C20H24FNO2/c21-19-9-5-4-8-18(19)20(23)13-22-11-10-17(12-22)15-24-14-16-6-2-1-3-7-16/h1-9,17,20,23H,10-15H2
InChIKeyALVGIXYKDXHLDL-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.40
Rot. Bonds7

About 1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol

1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol (PubChem CID 111489054) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol
PubChem CID111489054
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol
SMILESOC(CN1CCC(COCc2ccccc2)C1)c1ccccc1F
InChIInChI=1S/C20H24FNO2/c21-19-9-5-4-8-18(19)20(23)13-22-11-10-17(12-22)15-24-14-16-6-2-1-3-7-16/h1-9,17,20,23H,10-15H2
InChIKeyALVGIXYKDXHLDL-UHFFFAOYSA-N
XLogP3.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]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-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 113246642
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424
2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110892661
1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 112629223
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898564
(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239
1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine
CID 138009608

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol (CID 111489054) is 1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol is OC(CN1CCC(COCc2ccccc2)C1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is ALVGIXYKDXHLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-19-9-5-4-8-18(19)20(23)13-22-11-10-17(12-22)15-24-14-16-6-2-1-3-7-16/h1-9,17,20,23H,10-15H2.
What are the key properties of 1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol?
1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 329.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 111489054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).