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

C12H16FNO2 — CID 122217482

IUPACN-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine
SMILESCC1CC(Nc2ccc(F)cc2)OC(C)O1
InChIInChI=1S/C12H16FNO2/c1-8-7-12(16-9(2)15-8)14-11-5-3-10(13)4-6-11/h3-6,8-9,12,14H,7H2,1-2H3
InChIKeyWYKGHWMMKVJOCR-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.74
Rot. Bonds2

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

N-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine (PubChem CID 122217482) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine
PubChem CID122217482
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine
SMILESCC1CC(Nc2ccc(F)cc2)OC(C)O1
InChIInChI=1S/C12H16FNO2/c1-8-7-12(16-9(2)15-8)14-11-5-3-10(13)4-6-11/h3-6,8-9,12,14H,7H2,1-2H3
InChIKeyWYKGHWMMKVJOCR-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine?
The IUPAC name of N-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine (CID 122217482) is N-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine is CC1CC(Nc2ccc(F)cc2)OC(C)O1.
What is the InChIKey of N-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine?
The InChIKey is WYKGHWMMKVJOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-7-12(16-9(2)15-8)14-11-5-3-10(13)4-6-11/h3-6,8-9,12,14H,7H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine?
N-(4-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 N-(4-fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine is sourced from PubChem (CID 122217482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).