(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol

C20H24FNO2 — CID 95336881

IUPAC(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
SMILESO[C@H](COCc1ccccc1F)CN1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H24FNO2/c21-20-9-5-4-8-18(20)14-24-15-19(23)13-22-11-10-17(12-22)16-6-2-1-3-7-16/h1-9,17,19,23H,10-15H2/t17-,19+/m1/s1
InChIKeyIEIHADAZXTWREJ-MJGOQNOKSA-N
MW329.42 g/mol
LogP3.19
Rot. Bonds7

About (2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol

(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol (PubChem CID 95336881) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is (2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
PubChem CID95336881
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
SMILESO[C@H](COCc1ccccc1F)CN1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H24FNO2/c21-20-9-5-4-8-18(20)14-24-15-19(23)13-22-11-10-17(12-22)16-6-2-1-3-7-16/h1-9,17,19,23H,10-15H2/t17-,19+/m1/s1
InChIKeyIEIHADAZXTWREJ-MJGOQNOKSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 95137870
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
1-[(2-fluorophenyl)methoxy]-3-(4-phenylmethoxypiperidin-1-yl)propan-2-ol
CID 86913317
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
CID 94806087
(2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 100837884
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352978
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352976
1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 134055072
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 110898076
1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol
CID 110913010
1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 110877558

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol (CID 95336881) is (2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol is O[C@H](COCc1ccccc1F)CN1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol?
The InChIKey is IEIHADAZXTWREJ-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-20-9-5-4-8-18(20)14-24-15-19(23)13-22-11-10-17(12-22)16-6-2-1-3-7-16/h1-9,17,19,23H,10-15H2/t17-,19+/m1/s1.
What are the key properties of (2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol?
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol has a molecular weight of 329.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 95336881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).