[(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine

C13H19NO2 — CID 129389570

IUPAC[(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine
SMILESNC[C@@H]1CC[C@H](COc2ccccc2)CO1
InChIInChI=1S/C13H19NO2/c14-8-13-7-6-11(10-16-13)9-15-12-4-2-1-3-5-12/h1-5,11,13H,6-10,14H2/t11-,13+/m1/s1
InChIKeyUQAXLWWYSGHXCB-YPMHNXCESA-N
MW221.30 g/mol
LogP1.82
Rot. Bonds4

About [(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine

[(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine (PubChem CID 129389570) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine
PubChem CID129389570
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine
SMILESNC[C@@H]1CC[C@H](COc2ccccc2)CO1
InChIInChI=1S/C13H19NO2/c14-8-13-7-6-11(10-16-13)9-15-12-4-2-1-3-5-12/h1-5,11,13H,6-10,14H2/t11-,13+/m1/s1
InChIKeyUQAXLWWYSGHXCB-YPMHNXCESA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(phenoxymethyl)oxan-3-yl]methanamine
CID 58923660
[5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine
CID 143092721
cyclopropylmethoxybenzene
CID 12712156
[(3R,6S)-6-[(4-fluorophenoxy)methyl]oxan-3-yl]methanamine
CID 69476160
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
5-(phenoxymethyl)oxolane-3-thiol
CID 18924021
3-(phenoxymethyl)cyclopentan-1-amine
CID 83618605
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide
CID 58923734
5-(phenoxymethyl)oxazinane
CID 20597132

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine?
The IUPAC name of [(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine (CID 129389570) is [(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine.
What is the SMILES notation for [(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine?
The canonical SMILES for [(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine is NC[C@@H]1CC[C@H](COc2ccccc2)CO1.
What is the InChIKey of [(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine?
The InChIKey is UQAXLWWYSGHXCB-YPMHNXCESA-N. The full InChI is InChI=1S/C13H19NO2/c14-8-13-7-6-11(10-16-13)9-15-12-4-2-1-3-5-12/h1-5,11,13H,6-10,14H2/t11-,13+/m1/s1.
What are the key properties of [(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine?
[(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine is sourced from PubChem (CID 129389570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).