(4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine

C14H21NO3 — CID 101363358

IUPAC(4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine
SMILESCC1(C)OC[C@@H](N)[C@H](COCc2ccccc2)O1
InChIInChI=1S/C14H21NO3/c1-14(2)17-9-12(15)13(18-14)10-16-8-11-6-4-3-5-7-11/h3-7,12-13H,8-10,15H2,1-2H3/t12-,13+/m1/s1
InChIKeyUHFSBWMRSSHPAH-OLZOCXBDSA-N
MW251.33 g/mol
LogP1.68
Rot. Bonds4

About (4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine

(4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine (PubChem CID 101363358) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name(4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine
PubChem CID101363358
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine
SMILESCC1(C)OC[C@@H](N)[C@H](COCc2ccccc2)O1
InChIInChI=1S/C14H21NO3/c1-14(2)17-9-12(15)13(18-14)10-16-8-11-6-4-3-5-7-11/h3-7,12-13H,8-10,15H2,1-2H3/t12-,13+/m1/s1
InChIKeyUHFSBWMRSSHPAH-OLZOCXBDSA-N
XLogP1.68
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-yl]methyl]benzaldehyde
CID 18944247
(4R,5S)-2,2-dimethyl-4-[(2R)-oxiran-2-yl]-5-(phenylmethoxymethyl)-1,3-dioxolane
CID 11173104
1-[(4R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]ethanone
CID 155933007
2-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]acetaldehyde
CID 11149732
(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-ol
CID 71475919
[(4R,5R)-5-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 73057850
(4S,5R)-4-[(4R,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-5-(iodomethyl)-2,2-dimethyl-1,3-dioxolane
CID 134880472
(2S,3S,4R,5R,6R)-2-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11226789
[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl trifluoromethanesulfonate
CID 123946987
2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
CID 85248081
(4R,5R)-2,2,5-trimethyl-4-[(E)-6-phenylmethoxyhex-3-enyl]-1,3-dioxane
CID 21160243
(4S)-4-[(1R)-1-fluoro-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolane
CID 140879278

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine?
The IUPAC name of (4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine (CID 101363358) is (4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine.
What is the SMILES notation for (4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine?
The canonical SMILES for (4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine is CC1(C)OC[C@@H](N)[C@H](COCc2ccccc2)O1.
What is the InChIKey of (4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine?
The InChIKey is UHFSBWMRSSHPAH-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2)17-9-12(15)13(18-14)10-16-8-11-6-4-3-5-7-11/h3-7,12-13H,8-10,15H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine?
(4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine has a molecular weight of 251.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 101363358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).