2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine

C12H17NO2 — CID 536692

IUPAC2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(N)C(c2ccccc2)O1
InChIInChI=1S/C12H17NO2/c1-12(2)14-8-10(13)11(15-12)9-6-4-3-5-7-9/h3-7,10-11H,8,13H2,1-2H3
InChIKeyILNGCJMEDIBPTL-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.84
Rot. Bonds1

About 2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine

2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine (PubChem CID 536692) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine
PubChem CID536692
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(N)C(c2ccccc2)O1
InChIInChI=1S/C12H17NO2/c1-12(2)14-8-10(13)11(15-12)9-6-4-3-5-7-9/h3-7,10-11H,8,13H2,1-2H3
InChIKeyILNGCJMEDIBPTL-UHFFFAOYSA-N
XLogP1.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine (CID 536692) is 2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine is CC1(C)OCC(N)C(c2ccccc2)O1.
What is the InChIKey of 2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
The InChIKey is ILNGCJMEDIBPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2)14-8-10(13)11(15-12)9-6-4-3-5-7-9/h3-7,10-11H,8,13H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine has a molecular weight of 207.27 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine is sourced from PubChem (CID 536692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).