[(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine

C17H25NO2 — CID 122195107

IUPAC[(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine
SMILESNC[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1
InChIInChI=1S/C17H25NO2/c18-11-16-12-19-13-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13,18H2/t16-,17-/m1/s1
InChIKeyLCQJTGTYLDIXSS-IAGOWNOFSA-N
MW275.39 g/mol
LogP2.84
Rot. Bonds3

About [(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine

[(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine (PubChem CID 122195107) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine
PubChem CID122195107
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine
SMILESNC[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1
InChIInChI=1S/C17H25NO2/c18-11-16-12-19-13-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13,18H2/t16-,17-/m1/s1
InChIKeyLCQJTGTYLDIXSS-IAGOWNOFSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine with MolForge

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Related Compounds

Tofenacin
CID 25315
2-(Diphenylmethoxy)ethylamine
CID 36060
N-Desmethyldiphenhydramine
CID 40791
(6,6-Diphenyl-1,4-dioxan-2-yl)methyl-trimethylazanium iodide
CID 42596928
[(2S,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium iodide
CID 46188793
[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]methyl-trimethylazanium iodide
CID 57326234
(6-Cyclohexyl-6-phenyl-1,4-dioxan-2-yl)methyl-trimethylazanium iodide
CID 75167446
1-[(2S,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine
CID 156014269
N-(cyclohexylmethyl)-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine
CID 164625324
1-Benzyloxymethyl-2,2-diphenyl-ethylamine
CID 44299298
Fenisorex
CID 10377759
(1S)-1-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine
CID 44275980

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine?
The IUPAC name of [(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine (CID 122195107) is [(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine.
What is the SMILES notation for [(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine?
The canonical SMILES for [(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine is NC[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1.
What is the InChIKey of [(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine?
The InChIKey is LCQJTGTYLDIXSS-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H25NO2/c18-11-16-12-19-13-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13,18H2/t16-,17-/m1/s1.
What are the key properties of [(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine?
[(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine has a molecular weight of 275.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methanamine is sourced from PubChem (CID 122195107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).