[2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine

C13H18FNO3 — CID 113389414

IUPAC[2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine
SMILESCOc1cccc(F)c1C1(CN)OCC(C)CO1
InChIInChI=1S/C13H18FNO3/c1-9-6-17-13(8-15,18-7-9)12-10(14)4-3-5-11(12)16-2/h3-5,9H,6-8,15H2,1-2H3
InChIKeyMMZHBEFTIFGOAL-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.63
Rot. Bonds3

About [2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine

[2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine (PubChem CID 113389414) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is [2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine
PubChem CID113389414
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name[2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine
SMILESCOc1cccc(F)c1C1(CN)OCC(C)CO1
InChIInChI=1S/C13H18FNO3/c1-9-6-17-13(8-15,18-7-9)12-10(14)4-3-5-11(12)16-2/h3-5,9H,6-8,15H2,1-2H3
InChIKeyMMZHBEFTIFGOAL-UHFFFAOYSA-N
XLogP1.63
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine?
The IUPAC name of [2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine (CID 113389414) is [2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine.
What is the SMILES notation for [2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine?
The canonical SMILES for [2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine is COc1cccc(F)c1C1(CN)OCC(C)CO1.
What is the InChIKey of [2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine?
The InChIKey is MMZHBEFTIFGOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9-6-17-13(8-15,18-7-9)12-10(14)4-3-5-11(12)16-2/h3-5,9H,6-8,15H2,1-2H3.
What are the key properties of [2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine?
[2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine has a molecular weight of 255.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-dioxan-2-yl]methanamine is sourced from PubChem (CID 113389414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).