(4R,5R)-4-phenyl-1,3-dioxan-5-amine

C10H13NO2 — CID 11116629

IUPAC(4R,5R)-4-phenyl-1,3-dioxan-5-amine
SMILESN[C@@H]1COCO[C@@H]1c1ccccc1
InChIInChI=1S/C10H13NO2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2/t9-,10-/m1/s1
InChIKeyKNURWXWPWSONGI-NXEZZACHSA-N
MW179.22 g/mol
LogP1.06
Rot. Bonds1

About (4R,5R)-4-phenyl-1,3-dioxan-5-amine

(4R,5R)-4-phenyl-1,3-dioxan-5-amine (PubChem CID 11116629) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4R,5R)-4-phenyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name(4R,5R)-4-phenyl-1,3-dioxan-5-amine
PubChem CID11116629
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4R,5R)-4-phenyl-1,3-dioxan-5-amine
SMILESN[C@@H]1COCO[C@@H]1c1ccccc1
InChIInChI=1S/C10H13NO2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2/t9-,10-/m1/s1
InChIKeyKNURWXWPWSONGI-NXEZZACHSA-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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Related Compounds

(4S,5R)-5-chloro-4-phenyl-1,3-dioxane
CID 71370550
(4S,5S)-5-chloro-4-phenyl-1,3-dioxane
CID 95562202
(2R,3S)-2-phenyloxan-3-amine
CID 131044940
4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol
CID 11831593
4-bromo-5-phenyl-1,3-dioxolane
CID 69060625
2-phenyloxirane
CID 7276
(3S,4R)-3-phenyloxan-4-amine
CID 140767373
(4-aminooxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66240855
1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 153409594
(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 66236076
1-phenyl-3-[(4-phenyl-1,3-dioxan-5-yl)amino]propan-1-one
CID 110176915
[(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol
CID 101367398

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-phenyl-1,3-dioxan-5-amine?
The IUPAC name of (4R,5R)-4-phenyl-1,3-dioxan-5-amine (CID 11116629) is (4R,5R)-4-phenyl-1,3-dioxan-5-amine.
What is the SMILES notation for (4R,5R)-4-phenyl-1,3-dioxan-5-amine?
The canonical SMILES for (4R,5R)-4-phenyl-1,3-dioxan-5-amine is N[C@@H]1COCO[C@@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-4-phenyl-1,3-dioxan-5-amine?
The InChIKey is KNURWXWPWSONGI-NXEZZACHSA-N. The full InChI is InChI=1S/C10H13NO2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-4-phenyl-1,3-dioxan-5-amine?
(4R,5R)-4-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 (4R,5R)-4-phenyl-1,3-dioxan-5-amine is sourced from PubChem (CID 11116629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).