[6-(phenoxymethyl)oxan-3-yl]methanamine

C13H19NO2 — CID 58923660

IUPAC[6-(phenoxymethyl)oxan-3-yl]methanamine
SMILESNCC1CCC(COc2ccccc2)OC1
InChIInChI=1S/C13H19NO2/c14-8-11-6-7-13(15-9-11)10-16-12-4-2-1-3-5-12/h1-5,11,13H,6-10,14H2
InChIKeyKCBYMILXUKIHQJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.82
Rot. Bonds4

About [6-(phenoxymethyl)oxan-3-yl]methanamine

[6-(phenoxymethyl)oxan-3-yl]methanamine (PubChem CID 58923660) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [6-(phenoxymethyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[6-(phenoxymethyl)oxan-3-yl]methanamine
PubChem CID58923660
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[6-(phenoxymethyl)oxan-3-yl]methanamine
SMILESNCC1CCC(COc2ccccc2)OC1
InChIInChI=1S/C13H19NO2/c14-8-11-6-7-13(15-9-11)10-16-12-4-2-1-3-5-12/h1-5,11,13H,6-10,14H2
InChIKeyKCBYMILXUKIHQJ-UHFFFAOYSA-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

[(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine
CID 129389570
[(3R,6S)-6-[(4-fluorophenoxy)methyl]oxan-3-yl]methanamine
CID 69476160
[5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine
CID 143092721
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
cyclopropylmethoxybenzene
CID 12712156
5-(phenoxymethyl)oxolane-3-thiol
CID 18924021
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane
CID 158637466
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
3-(phenoxymethyl)cyclopentan-1-amine
CID 83618605

Frequently Asked Questions

What is the IUPAC name of [6-(phenoxymethyl)oxan-3-yl]methanamine?
The IUPAC name of [6-(phenoxymethyl)oxan-3-yl]methanamine (CID 58923660) is [6-(phenoxymethyl)oxan-3-yl]methanamine.
What is the SMILES notation for [6-(phenoxymethyl)oxan-3-yl]methanamine?
The canonical SMILES for [6-(phenoxymethyl)oxan-3-yl]methanamine is NCC1CCC(COc2ccccc2)OC1.
What is the InChIKey of [6-(phenoxymethyl)oxan-3-yl]methanamine?
The InChIKey is KCBYMILXUKIHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-8-11-6-7-13(15-9-11)10-16-12-4-2-1-3-5-12/h1-5,11,13H,6-10,14H2.
What are the key properties of [6-(phenoxymethyl)oxan-3-yl]methanamine?
[6-(phenoxymethyl)oxan-3-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 [6-(phenoxymethyl)oxan-3-yl]methanamine is sourced from PubChem (CID 58923660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).