1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C18H28FNO2 — CID 111434982

IUPAC1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC1CC(c2ccc(F)cc2)CN1CC(O)COC(C)(C)C
InChIInChI=1S/C18H28FNO2/c1-13-9-15(14-5-7-16(19)8-6-14)10-20(13)11-17(21)12-22-18(2,3)4/h5-8,13,15,17,21H,9-12H2,1-4H3
InChIKeyZTEZBBMDEHOYSU-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.18
Rot. Bonds5

About 1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 111434982) has the molecular formula C18H28FNO2 and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID111434982
Molecular FormulaC18H28FNO2
Molecular Weight309.43 g/mol
Exact Mass309.21
IUPAC Name1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC1CC(c2ccc(F)cc2)CN1CC(O)COC(C)(C)C
InChIInChI=1S/C18H28FNO2/c1-13-9-15(14-5-7-16(19)8-6-14)10-20(13)11-17(21)12-22-18(2,3)4/h5-8,13,15,17,21H,9-12H2,1-4H3
InChIKeyZTEZBBMDEHOYSU-UHFFFAOYSA-N
XLogP3.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741516
4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine
CID 119931942
2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 122157842
4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119931941
2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid
CID 99777227
(2S)-1-[(2-methylpropan-2-yl)oxy]-3-[(2S)-2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 124778376
(2S)-4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 175438631
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 56793687
1-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 48966438
1-[2-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111107375

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 111434982) is 1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC1CC(c2ccc(F)cc2)CN1CC(O)COC(C)(C)C.
What is the InChIKey of 1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is ZTEZBBMDEHOYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO2/c1-13-9-15(14-5-7-16(19)8-6-14)10-20(13)11-17(21)12-22-18(2,3)4/h5-8,13,15,17,21H,9-12H2,1-4H3.
What are the key properties of 1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 309.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 111434982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).