(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine

C12H17NO2 — CID 7061833

IUPAC(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine
SMILESCC1(C)OC[C@H](N)[C@H](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/t10-,11-/m0/s1
InChIKeyILNGCJMEDIBPTL-QWRGUYRKSA-N
MW207.27 g/mol
LogP1.84
Rot. Bonds1

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

(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine (PubChem CID 7061833) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine
PubChem CID7061833
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine
SMILESCC1(C)OC[C@H](N)[C@H](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/t10-,11-/m0/s1
InChIKeyILNGCJMEDIBPTL-QWRGUYRKSA-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 (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
The IUPAC name of (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine (CID 7061833) is (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine.
What is the SMILES notation for (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
The canonical SMILES for (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine is CC1(C)OC[C@H](N)[C@H](c2ccccc2)O1.
What is the InChIKey of (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
The InChIKey is ILNGCJMEDIBPTL-QWRGUYRKSA-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/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine?
(4S,5S)-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 (4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine is sourced from PubChem (CID 7061833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).