(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol

C12H17NO2 — CID 86315413

IUPAC(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol
SMILESO[C@H]1COC[C@@H]1NCCc1ccccc1
InChIInChI=1S/C12H17NO2/c14-12-9-15-8-11(12)13-7-6-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12-/m0/s1
InChIKeyZGAJKKGINOTABQ-RYUDHWBXSA-N
MW207.27 g/mol
LogP0.58
Rot. Bonds4

About (3R,4S)-4-(2-phenylethylamino)oxolan-3-ol

(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol (PubChem CID 86315413) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3R,4S)-4-(2-phenylethylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol
PubChem CID86315413
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol
SMILESO[C@H]1COC[C@@H]1NCCc1ccccc1
InChIInChI=1S/C12H17NO2/c14-12-9-15-8-11(12)13-7-6-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12-/m0/s1
InChIKeyZGAJKKGINOTABQ-RYUDHWBXSA-N
XLogP0.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol
CID 101200287
2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
CID 101112827
N-(2-phenylethyl)oxan-4-amine;hydrochloride
CID 71299312
4-(1-phenylpropan-2-ylamino)oxolan-3-ol
CID 63011937
4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol
CID 107230514
[2-(2-phenylethylamino)cyclopentyl]methanol
CID 104864522
4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587719
(3S,4R)-4-anilinooxolan-3-ol
CID 93383619
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
4-benzyloxolan-3-ol
CID 14785279
2-(3-phenylpropylamino)cyclohexan-1-ol
CID 45358268
(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 59101629

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2-phenylethylamino)oxolan-3-ol?
The IUPAC name of (3R,4S)-4-(2-phenylethylamino)oxolan-3-ol (CID 86315413) is (3R,4S)-4-(2-phenylethylamino)oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-(2-phenylethylamino)oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-(2-phenylethylamino)oxolan-3-ol is O[C@H]1COC[C@@H]1NCCc1ccccc1.
What is the InChIKey of (3R,4S)-4-(2-phenylethylamino)oxolan-3-ol?
The InChIKey is ZGAJKKGINOTABQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17NO2/c14-12-9-15-8-11(12)13-7-6-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12-/m0/s1.
What are the key properties of (3R,4S)-4-(2-phenylethylamino)oxolan-3-ol?
(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol has a molecular weight of 207.27 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2-phenylethylamino)oxolan-3-ol is sourced from PubChem (CID 86315413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).