2-(3,5-dimethylphenyl)oxan-3-amine

C13H19NO — CID 79364779

IUPAC2-(3,5-dimethylphenyl)oxan-3-amine
SMILESCc1cc(C)cc(C2OCCCC2N)c1
InChIInChI=1S/C13H19NO/c1-9-6-10(2)8-11(7-9)13-12(14)4-3-5-15-13/h6-8,12-13H,3-5,14H2,1-2H3
InChIKeyCGFGPUIRGVKACJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.48
Rot. Bonds1

About 2-(3,5-dimethylphenyl)oxan-3-amine

2-(3,5-dimethylphenyl)oxan-3-amine (PubChem CID 79364779) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)oxan-3-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)oxan-3-amine
PubChem CID79364779
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(3,5-dimethylphenyl)oxan-3-amine
SMILESCc1cc(C)cc(C2OCCCC2N)c1
InChIInChI=1S/C13H19NO/c1-9-6-10(2)8-11(7-9)13-12(14)4-3-5-15-13/h6-8,12-13H,3-5,14H2,1-2H3
InChIKeyCGFGPUIRGVKACJ-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)oxan-3-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)oxan-3-amine (CID 79364779) is 2-(3,5-dimethylphenyl)oxan-3-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)oxan-3-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)oxan-3-amine is Cc1cc(C)cc(C2OCCCC2N)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)oxan-3-amine?
The InChIKey is CGFGPUIRGVKACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-10(2)8-11(7-9)13-12(14)4-3-5-15-13/h6-8,12-13H,3-5,14H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)oxan-3-amine?
2-(3,5-dimethylphenyl)oxan-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)oxan-3-amine is sourced from PubChem (CID 79364779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).