[(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine

C14H21NO2 — CID 135041284

IUPAC[(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine
SMILESNC[C@H]1CCCC(COCc2ccccc2)O1
InChIInChI=1S/C14H21NO2/c15-9-13-7-4-8-14(17-13)11-16-10-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,15H2/t13-,14?/m1/s1
InChIKeyXUBBKGWOKBLHHR-KWCCSABGSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds5

About [(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine

[(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine (PubChem CID 135041284) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine
PubChem CID135041284
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine
SMILESNC[C@H]1CCCC(COCc2ccccc2)O1
InChIInChI=1S/C14H21NO2/c15-9-13-7-4-8-14(17-13)11-16-10-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,15H2/t13-,14?/m1/s1
InChIKeyXUBBKGWOKBLHHR-KWCCSABGSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine?
The IUPAC name of [(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine (CID 135041284) is [(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine.
What is the SMILES notation for [(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine?
The canonical SMILES for [(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine is NC[C@H]1CCCC(COCc2ccccc2)O1.
What is the InChIKey of [(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine?
The InChIKey is XUBBKGWOKBLHHR-KWCCSABGSA-N. The full InChI is InChI=1S/C14H21NO2/c15-9-13-7-4-8-14(17-13)11-16-10-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,15H2/t13-,14?/m1/s1.
What are the key properties of [(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine?
[(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-(phenylmethoxymethyl)oxan-2-yl]methanamine is sourced from PubChem (CID 135041284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).