1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine

C18H22N2O2 — CID 175136635

IUPAC1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine
SMILESCC1(C(N)Cc2ccccn2)COC(c2ccccc2)OC1
InChIInChI=1S/C18H22N2O2/c1-18(16(19)11-15-9-5-6-10-20-15)12-21-17(22-13-18)14-7-3-2-4-8-14/h2-10,16-17H,11-13,19H2,1H3
InChIKeyJSIYECDAVGCTBJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.70
Rot. Bonds4

About 1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine

1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine (PubChem CID 175136635) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine
PubChem CID175136635
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine
SMILESCC1(C(N)Cc2ccccn2)COC(c2ccccc2)OC1
InChIInChI=1S/C18H22N2O2/c1-18(16(19)11-15-9-5-6-10-20-15)12-21-17(22-13-18)14-7-3-2-4-8-14/h2-10,16-17H,11-13,19H2,1H3
InChIKeyJSIYECDAVGCTBJ-UHFFFAOYSA-N
XLogP2.70
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(1-methylcyclopropyl)-2-pyridin-2-ylethanamine
CID 135132633
1-(1-amino-2-pyridin-2-ylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 79074427
5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane
CID 11207486
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine
CID 135121703
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
3-cyclopropyl-1-pyridin-2-ylbutan-2-amine
CID 83155129
3-phenyl-1-pyridin-2-ylpentan-2-amine
CID 104995303
1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine
CID 62718393
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
1-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43363176

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine (CID 175136635) is 1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine is CC1(C(N)Cc2ccccn2)COC(c2ccccc2)OC1.
What is the InChIKey of 1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine?
The InChIKey is JSIYECDAVGCTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(16(19)11-15-9-5-6-10-20-15)12-21-17(22-13-18)14-7-3-2-4-8-14/h2-10,16-17H,11-13,19H2,1H3.
What are the key properties of 1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine?
1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine has a molecular weight of 298.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 175136635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).