1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine

C13H18FNO2 — CID 106883666

IUPAC1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2COCCO2)c(F)c1
InChIInChI=1S/C13H18FNO2/c1-8-5-9(2)12(10(14)6-8)13(15)11-7-16-3-4-17-11/h5-6,11,13H,3-4,7,15H2,1-2H3
InChIKeyFENKFBMDVOMDCE-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.86
Rot. Bonds2

About 1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine

1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine (PubChem CID 106883666) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
PubChem CID106883666
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2COCCO2)c(F)c1
InChIInChI=1S/C13H18FNO2/c1-8-5-9(2)12(10(14)6-8)13(15)11-7-16-3-4-17-11/h5-6,11,13H,3-4,7,15H2,1-2H3
InChIKeyFENKFBMDVOMDCE-UHFFFAOYSA-N
XLogP1.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4,6-dimethylphenyl)-(1,4-oxathian-2-yl)methanamine
CID 106881803
(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 106881667
(2-chloro-4,5-dimethylphenyl)-(1,4-dioxan-2-yl)methanamine
CID 113319410
[(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 106884319
1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
CID 65351089
(2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
CID 114242074
(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 106881549
2-[chloro-(2,4-difluoro-5-methylphenyl)methyl]-1,4-dioxane
CID 79730638
1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine
CID 65352820
(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881648
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
2-[bromo-(2,6-difluoro-4-methoxyphenyl)methyl]-1,4-dioxane
CID 55119810

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine?
The IUPAC name of 1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine (CID 106883666) is 1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for 1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine?
The canonical SMILES for 1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine is Cc1cc(C)c(C(N)C2COCCO2)c(F)c1.
What is the InChIKey of 1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine?
The InChIKey is FENKFBMDVOMDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-8-5-9(2)12(10(14)6-8)13(15)11-7-16-3-4-17-11/h5-6,11,13H,3-4,7,15H2,1-2H3.
What are the key properties of 1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine?
1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine has a molecular weight of 239.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106883666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).