3-(3,4-dimethylphenoxy)oxan-4-amine

C13H19NO2 — CID 43608875

IUPAC3-(3,4-dimethylphenoxy)oxan-4-amine
SMILESCc1ccc(OC2COCCC2N)cc1C
InChIInChI=1S/C13H19NO2/c1-9-3-4-11(7-10(9)2)16-13-8-15-6-5-12(13)14/h3-4,7,12-13H,5-6,8,14H2,1-2H3
InChIKeyWHOFNHVIMJTZDC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.80
Rot. Bonds2

About 3-(3,4-dimethylphenoxy)oxan-4-amine

3-(3,4-dimethylphenoxy)oxan-4-amine (PubChem CID 43608875) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)oxan-4-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)oxan-4-amine
PubChem CID43608875
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(3,4-dimethylphenoxy)oxan-4-amine
SMILESCc1ccc(OC2COCCC2N)cc1C
InChIInChI=1S/C13H19NO2/c1-9-3-4-11(7-10(9)2)16-13-8-15-6-5-12(13)14/h3-4,7,12-13H,5-6,8,14H2,1-2H3
InChIKeyWHOFNHVIMJTZDC-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)oxan-4-amine?
The IUPAC name of 3-(3,4-dimethylphenoxy)oxan-4-amine (CID 43608875) is 3-(3,4-dimethylphenoxy)oxan-4-amine.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)oxan-4-amine?
The canonical SMILES for 3-(3,4-dimethylphenoxy)oxan-4-amine is Cc1ccc(OC2COCCC2N)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)oxan-4-amine?
The InChIKey is WHOFNHVIMJTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-3-4-11(7-10(9)2)16-13-8-15-6-5-12(13)14/h3-4,7,12-13H,5-6,8,14H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenoxy)oxan-4-amine?
3-(3,4-dimethylphenoxy)oxan-4-amine has a molecular weight of 221.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)oxan-4-amine is sourced from PubChem (CID 43608875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).