(2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine

C14H19NO3 — CID 102159727

IUPAC(2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine
SMILESCO[C@@H]1C=C[C@@H](N)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C14H19NO3/c1-16-14-8-7-12(15)13(18-14)10-17-9-11-5-3-2-4-6-11/h2-8,12-14H,9-10,15H2,1H3/t12-,13-,14+/m1/s1
InChIKeyWAUJYSSXXMUADS-MCIONIFRSA-N
MW249.31 g/mol
LogP1.46
Rot. Bonds5

About (2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine

(2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine (PubChem CID 102159727) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name(2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine
PubChem CID102159727
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine
SMILESCO[C@@H]1C=C[C@@H](N)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C14H19NO3/c1-16-14-8-7-12(15)13(18-14)10-17-9-11-5-3-2-4-6-11/h2-8,12-14H,9-10,15H2,1H3/t12-,13-,14+/m1/s1
InChIKeyWAUJYSSXXMUADS-MCIONIFRSA-N
XLogP1.46
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 66555303
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
methyl (2S,3R)-3-(phenylmethoxymethyl)oxirane-2-carboxylate
CID 101113540
(2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 66554793
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511
N-ethyl-N-[[(2S,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl]ethanamine
CID 101140300
3-(phenylmethoxymethyl)oxirane-2-carboxamide
CID 10130485
(2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane
CID 102377923
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3S)-6-methoxy-3-methyl-2-[(2S)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran
CID 11572647

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine?
The IUPAC name of (2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine (CID 102159727) is (2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine.
What is the SMILES notation for (2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine?
The canonical SMILES for (2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine is CO[C@@H]1C=C[C@@H](N)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine?
The InChIKey is WAUJYSSXXMUADS-MCIONIFRSA-N. The full InChI is InChI=1S/C14H19NO3/c1-16-14-8-7-12(15)13(18-14)10-17-9-11-5-3-2-4-6-11/h2-8,12-14H,9-10,15H2,1H3/t12-,13-,14+/m1/s1.
What are the key properties of (2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine?
(2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine has a molecular weight of 249.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 102159727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).