(2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine

C12H16FNO2 — CID 139086046

IUPAC(2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine
SMILESC[C@@H]1O[C@H](C)C[C@H](Nc2ccccc2F)O1
InChIInChI=1S/C12H16FNO2/c1-8-7-12(16-9(2)15-8)14-11-6-4-3-5-10(11)13/h3-6,8-9,12,14H,7H2,1-2H3/t8-,9-,12-/m1/s1
InChIKeyOLOMNGIKUBVJKA-KBVBSXBZSA-N
MW225.26 g/mol
LogP2.74
Rot. Bonds2

About (2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine

(2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine (PubChem CID 139086046) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine.

Molecular Properties

Compound Name(2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine
PubChem CID139086046
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine
SMILESC[C@@H]1O[C@H](C)C[C@H](Nc2ccccc2F)O1
InChIInChI=1S/C12H16FNO2/c1-8-7-12(16-9(2)15-8)14-11-6-4-3-5-10(11)13/h3-6,8-9,12,14H,7H2,1-2H3/t8-,9-,12-/m1/s1
InChIKeyOLOMNGIKUBVJKA-KBVBSXBZSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine?
The IUPAC name of (2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine (CID 139086046) is (2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine.
What is the SMILES notation for (2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine?
The canonical SMILES for (2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine is C[C@@H]1O[C@H](C)C[C@H](Nc2ccccc2F)O1.
What is the InChIKey of (2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine?
The InChIKey is OLOMNGIKUBVJKA-KBVBSXBZSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-7-12(16-9(2)15-8)14-11-6-4-3-5-10(11)13/h3-6,8-9,12,14H,7H2,1-2H3/t8-,9-,12-/m1/s1.
What are the key properties of (2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine?
(2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine has a molecular weight of 225.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R)-N-(2-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine is sourced from PubChem (CID 139086046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).