(2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol

C14H21NO2 — CID 118041503

IUPAC(2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol
SMILESC[C@H]1C[C@H](O)[C@@H](N[C@H](C)c2ccccc2)CO1
InChIInChI=1S/C14H21NO2/c1-10-8-14(16)13(9-17-10)15-11(2)12-6-4-3-5-7-12/h3-7,10-11,13-16H,8-9H2,1-2H3/t10-,11+,13-,14-/m0/s1
InChIKeySCMCYTCCDQUXMZ-XCCSTKFXSA-N
MW235.33 g/mol
LogP1.88
Rot. Bonds3

About (2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol

(2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol (PubChem CID 118041503) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol.

Molecular Properties

Compound Name(2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol
PubChem CID118041503
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol
SMILESC[C@H]1C[C@H](O)[C@@H](N[C@H](C)c2ccccc2)CO1
InChIInChI=1S/C14H21NO2/c1-10-8-14(16)13(9-17-10)15-11(2)12-6-4-3-5-7-12/h3-7,10-11,13-16H,8-9H2,1-2H3/t10-,11+,13-,14-/m0/s1
InChIKeySCMCYTCCDQUXMZ-XCCSTKFXSA-N
XLogP1.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol?
The IUPAC name of (2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol (CID 118041503) is (2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol.
What is the SMILES notation for (2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol?
The canonical SMILES for (2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol is C[C@H]1C[C@H](O)[C@@H](N[C@H](C)c2ccccc2)CO1.
What is the InChIKey of (2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol?
The InChIKey is SCMCYTCCDQUXMZ-XCCSTKFXSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-8-14(16)13(9-17-10)15-11(2)12-6-4-3-5-7-12/h3-7,10-11,13-16H,8-9H2,1-2H3/t10-,11+,13-,14-/m0/s1.
What are the key properties of (2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol?
(2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol has a molecular weight of 235.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol is sourced from PubChem (CID 118041503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).