3-[3-(methoxymethyl)phenoxy]oxan-4-amine

C13H19NO3 — CID 63985960

IUPAC3-[3-(methoxymethyl)phenoxy]oxan-4-amine
SMILESCOCc1cccc(OC2COCCC2N)c1
InChIInChI=1S/C13H19NO3/c1-15-8-10-3-2-4-11(7-10)17-13-9-16-6-5-12(13)14/h2-4,7,12-13H,5-6,8-9,14H2,1H3
InChIKeyMLJNWWVHXFPXPF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.33
Rot. Bonds4

About 3-[3-(methoxymethyl)phenoxy]oxan-4-amine

3-[3-(methoxymethyl)phenoxy]oxan-4-amine (PubChem CID 63985960) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenoxy]oxan-4-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenoxy]oxan-4-amine
PubChem CID63985960
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[3-(methoxymethyl)phenoxy]oxan-4-amine
SMILESCOCc1cccc(OC2COCCC2N)c1
InChIInChI=1S/C13H19NO3/c1-15-8-10-3-2-4-11(7-10)17-13-9-16-6-5-12(13)14/h2-4,7,12-13H,5-6,8-9,14H2,1H3
InChIKeyMLJNWWVHXFPXPF-UHFFFAOYSA-N
XLogP1.33
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenoxy]oxan-4-amine?
The IUPAC name of 3-[3-(methoxymethyl)phenoxy]oxan-4-amine (CID 63985960) is 3-[3-(methoxymethyl)phenoxy]oxan-4-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)phenoxy]oxan-4-amine?
The canonical SMILES for 3-[3-(methoxymethyl)phenoxy]oxan-4-amine is COCc1cccc(OC2COCCC2N)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenoxy]oxan-4-amine?
The InChIKey is MLJNWWVHXFPXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-8-10-3-2-4-11(7-10)17-13-9-16-6-5-12(13)14/h2-4,7,12-13H,5-6,8-9,14H2,1H3.
What are the key properties of 3-[3-(methoxymethyl)phenoxy]oxan-4-amine?
3-[3-(methoxymethyl)phenoxy]oxan-4-amine has a molecular weight of 237.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenoxy]oxan-4-amine is sourced from PubChem (CID 63985960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).