(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

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Related Compounds

4-[[(1S)-1-phenylethyl]amino]oxolane-3-carboxylic acid
CID 175965674
cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
CID 10609367
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
3-(1-phenylethylamino)cyclohexan-1-ol
CID 43751335
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol
CID 81355689
(3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 58035147
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794

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).