(3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol

C13H21NO3 — CID 97108238

IUPAC(3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol
SMILESCCc1ccc([C@H](C)NC[C@@]2(O)CCOC2)o1
InChIInChI=1S/C13H21NO3/c1-3-11-4-5-12(17-11)10(2)14-8-13(15)6-7-16-9-13/h4-5,10,14-15H,3,6-9H2,1-2H3/t10-,13-/m0/s1
InChIKeyVIUIIMMTMALQRU-GWCFXTLKSA-N
MW239.31 g/mol
LogP1.64
Rot. Bonds5

About (3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol

(3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol (PubChem CID 97108238) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name(3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol
PubChem CID97108238
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol
SMILESCCc1ccc([C@H](C)NC[C@@]2(O)CCOC2)o1
InChIInChI=1S/C13H21NO3/c1-3-11-4-5-12(17-11)10(2)14-8-13(15)6-7-16-9-13/h4-5,10,14-15H,3,6-9H2,1-2H3/t10-,13-/m0/s1
InChIKeyVIUIIMMTMALQRU-GWCFXTLKSA-N
XLogP1.64
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol
CID 103904866
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
(3R)-3-[[[(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl]amino]methyl]oxolan-3-ol
CID 99820700
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871
3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol
CID 103904838
(3R)-3-[[[(1R)-1-(4-bromo-3-methylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 100679283
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776
3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol
CID 115896432
3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol
CID 104583576
(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol?
The IUPAC name of (3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol (CID 97108238) is (3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for (3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for (3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol is CCc1ccc([C@H](C)NC[C@@]2(O)CCOC2)o1.
What is the InChIKey of (3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol?
The InChIKey is VIUIIMMTMALQRU-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-11-4-5-12(17-11)10(2)14-8-13(15)6-7-16-9-13/h4-5,10,14-15H,3,6-9H2,1-2H3/t10-,13-/m0/s1.
What are the key properties of (3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol?
(3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol has a molecular weight of 239.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 97108238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).