2-phenyl-1,3-dioxan-5-amine

C10H13NO2 — CID 11126841

IUPAC2-phenyl-1,3-dioxan-5-amine
SMILESNC1COC(c2ccccc2)OC1
InChIInChI=1S/C10H13NO2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2
InChIKeyXXLVLPPHZWTLGD-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.06
Rot. Bonds1

About 2-phenyl-1,3-dioxan-5-amine

2-phenyl-1,3-dioxan-5-amine (PubChem CID 11126841) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-phenyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2-phenyl-1,3-dioxan-5-amine
PubChem CID11126841
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-phenyl-1,3-dioxan-5-amine
SMILESNC1COC(c2ccccc2)OC1
InChIInChI=1S/C10H13NO2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2
InChIKeyXXLVLPPHZWTLGD-UHFFFAOYSA-N
XLogP1.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-dioxan-5-amine?
The IUPAC name of 2-phenyl-1,3-dioxan-5-amine (CID 11126841) is 2-phenyl-1,3-dioxan-5-amine.
What is the SMILES notation for 2-phenyl-1,3-dioxan-5-amine?
The canonical SMILES for 2-phenyl-1,3-dioxan-5-amine is NC1COC(c2ccccc2)OC1.
What is the InChIKey of 2-phenyl-1,3-dioxan-5-amine?
The InChIKey is XXLVLPPHZWTLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2.
What are the key properties of 2-phenyl-1,3-dioxan-5-amine?
2-phenyl-1,3-dioxan-5-amine has a molecular weight of 179.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-dioxan-5-amine is sourced from PubChem (CID 11126841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).