1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine

C10H13FN2O2 — CID 65352820

IUPAC1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine
SMILESNC(c1cncc(F)c1)C1COCCO1
InChIInChI=1S/C10H13FN2O2/c11-8-3-7(4-13-5-8)10(12)9-6-14-1-2-15-9/h3-5,9-10H,1-2,6,12H2
InChIKeyOOKFCRVRDKCUEX-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.64
Rot. Bonds2

About 1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine

1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine (PubChem CID 65352820) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine
PubChem CID65352820
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine
SMILESNC(c1cncc(F)c1)C1COCCO1
InChIInChI=1S/C10H13FN2O2/c11-8-3-7(4-13-5-8)10(12)9-6-14-1-2-15-9/h3-5,9-10H,1-2,6,12H2
InChIKeyOOKFCRVRDKCUEX-UHFFFAOYSA-N
XLogP0.64
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
CID 65351089
1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine
CID 65351256
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 103547374
1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105138825
1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883666
1-(5-fluoro-3-pyridinyl)-2-(oxolan-3-yl)ethanol
CID 103986451
[1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine
CID 105285493
5-[amino(1,4-dioxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62797798
(4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine
CID 62798687
1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 115825275
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 103786183
2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane
CID 62803315

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine?
The IUPAC name of 1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine (CID 65352820) is 1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine.
What is the SMILES notation for 1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine?
The canonical SMILES for 1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine is NC(c1cncc(F)c1)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine?
The InChIKey is OOKFCRVRDKCUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-8-3-7(4-13-5-8)10(12)9-6-14-1-2-15-9/h3-5,9-10H,1-2,6,12H2.
What are the key properties of 1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine?
1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine has a molecular weight of 212.22 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine is sourced from PubChem (CID 65352820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).