(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol

C13H18FNO2 — CID 97108282

IUPAC(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
SMILESC[C@@H](NC[C@@]1(O)CCOC1)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-10(11-3-2-4-12(14)7-11)15-8-13(16)5-6-17-9-13/h2-4,7,10,15-16H,5-6,8-9H2,1H3/t10-,13+/m1/s1
InChIKeyOAYHVXMGEMTWRT-MFKMUULPSA-N
MW239.29 g/mol
LogP1.63
Rot. Bonds4

About (3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol

(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol (PubChem CID 97108282) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
PubChem CID97108282
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
SMILESC[C@@H](NC[C@@]1(O)CCOC1)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-10(11-3-2-4-12(14)7-11)15-8-13(16)5-6-17-9-13/h2-4,7,10,15-16H,5-6,8-9H2,1H3/t10-,13+/m1/s1
InChIKeyOAYHVXMGEMTWRT-MFKMUULPSA-N
XLogP1.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871
3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol
CID 103904763
(3R)-3-[[[(1R)-1-(4-bromo-3-methylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 100679283
(1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81365715
4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol
CID 114871723
3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol
CID 103904838
4-[[1-(3-bromophenyl)ethylamino]methyl]oxan-4-ol
CID 79140113
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270703
3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]methyl]oxolan-3-ol
CID 103904784
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol?
The IUPAC name of (3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol (CID 97108282) is (3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for (3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for (3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol is C[C@@H](NC[C@@]1(O)CCOC1)c1cccc(F)c1.
What is the InChIKey of (3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol?
The InChIKey is OAYHVXMGEMTWRT-MFKMUULPSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10(11-3-2-4-12(14)7-11)15-8-13(16)5-6-17-9-13/h2-4,7,10,15-16H,5-6,8-9H2,1H3/t10-,13+/m1/s1.
What are the key properties of (3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol?
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol has a molecular weight of 239.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 97108282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).