(1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol

C20H24FNO2 — CID 124737079

IUPAC(1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol
SMILESOCc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO2/c21-18-9-7-17(8-10-18)20(24)12-19-2-1-11-22(19)13-15-3-5-16(14-23)6-4-15/h3-10,19-20,23-24H,1-2,11-14H2/t19-,20+/m0/s1
InChIKeyPNVBZAOQMGVEQD-VQTJNVASSA-N
MW329.42 g/mol
LogP3.41
Rot. Bonds6

About (1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol

(1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol (PubChem CID 124737079) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol
PubChem CID124737079
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name(1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol
SMILESOCc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO2/c21-18-9-7-17(8-10-18)20(24)12-19-2-1-11-22(19)13-15-3-5-16(14-23)6-4-15/h3-10,19-20,23-24H,1-2,11-14H2/t19-,20+/m0/s1
InChIKeyPNVBZAOQMGVEQD-VQTJNVASSA-N
XLogP3.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-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

(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473
(1R)-1-(4-fluorophenyl)-2-[(2R)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 125141845
(1S)-1-(4-fluorophenyl)-2-[(2S)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 125141846
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
CID 110009563
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580001
3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-1-ol
CID 111103021
1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 120901751
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride
CID 120901750
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 112747898

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol (CID 124737079) is (1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol is OCc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol?
The InChIKey is PNVBZAOQMGVEQD-VQTJNVASSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-18-9-7-17(8-10-18)20(24)12-19-2-1-11-22(19)13-15-3-5-16(14-23)6-4-15/h3-10,19-20,23-24H,1-2,11-14H2/t19-,20+/m0/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol?
(1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol has a molecular weight of 329.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 124737079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).