N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine

C12H15Br2NO2 — CID 107597744

IUPACN-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(Nc2c(Br)cccc2Br)CO1
InChIInChI=1S/C12H15Br2NO2/c1-12(2)16-6-8(7-17-12)15-11-9(13)4-3-5-10(11)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyULJDBSRGPRIMQW-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.78
Rot. Bonds2

About N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine

N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 107597744) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID107597744
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC NameN-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(Nc2c(Br)cccc2Br)CO1
InChIInChI=1S/C12H15Br2NO2/c1-12(2)16-6-8(7-17-12)15-11-9(13)4-3-5-10(11)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyULJDBSRGPRIMQW-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 107597744) is N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine is CC1(C)OCC(Nc2c(Br)cccc2Br)CO1.
What is the InChIKey of N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is ULJDBSRGPRIMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-12(2)16-6-8(7-17-12)15-11-9(13)4-3-5-10(11)14/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 365.07 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 107597744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).