(3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol

C15H20FNO2 — CID 133111240

IUPAC(3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol
SMILESCCN(C/C=C/c1ccc(F)cc1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C15H20FNO2/c1-2-17(14-10-19-11-15(14)18)9-3-4-12-5-7-13(16)8-6-12/h3-8,14-15,18H,2,9-11H2,1H3/b4-3+/t14-,15-/m1/s1
InChIKeyFMVOHJKCTGJNAF-LRPXVYOUSA-N
MW265.33 g/mol
LogP1.92
Rot. Bonds5

About (3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol

(3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol (PubChem CID 133111240) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol
PubChem CID133111240
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol
SMILESCCN(C/C=C/c1ccc(F)cc1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C15H20FNO2/c1-2-17(14-10-19-11-15(14)18)9-3-4-12-5-7-13(16)8-6-12/h3-8,14-15,18H,2,9-11H2,1H3/b4-3+/t14-,15-/m1/s1
InChIKeyFMVOHJKCTGJNAF-LRPXVYOUSA-N
XLogP1.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol with MolForge

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Related Compounds

(2R,3R,4R)-1-[4-(4-fluorophenyl)butyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 172448341
(2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol
CID 125416315
(3R,4S)-4-(((S)-1-Phenylethyl)amino)tetrahydrofuran-3-ol
CID 59896143
(3S,4R)-4-(((R)-1-Phenylethyl)amino)tetrahydrofuran-3-ol
CID 134861845
1-[(4-Fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713378
[(2,4-Difluorophenyl)methyl][2-hydroxy-3-(2-methylpropoxy)propyl][(oxolan-2-YL)methyl]amine
CID 46007328
1-[Sec-butyl(2-fluorobenzyl)amino]-3-isobutoxy-2-propanol
CID 46007739
1-[Butan-2-yl-[(3-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 46007962
2-{2-[2-(4-Fluorophenyl)-1-pyrrolidinyl]ethoxy}ethanol
CID 56905953
(3R*,4S*)-4-[(3,4-difluorobenzyl)(ethyl)amino]tetrahydrofuran-3-ol
CID 74241402
(3R*,4S*)-4-[(2,2-diphenylethyl)(methyl)amino]tetrahydrofuran-3-ol
CID 77081040
(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-ol
CID 103881968

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol (CID 133111240) is (3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol is CCN(C/C=C/c1ccc(F)cc1)[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol?
The InChIKey is FMVOHJKCTGJNAF-LRPXVYOUSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-17(14-10-19-11-15(14)18)9-3-4-12-5-7-13(16)8-6-12/h3-8,14-15,18H,2,9-11H2,1H3/b4-3+/t14-,15-/m1/s1.
What are the key properties of (3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol?
(3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol has a molecular weight of 265.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[ethyl-[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]oxolan-3-ol is sourced from PubChem (CID 133111240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).