N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine

C11H12Br2N2 — CID 107598896

IUPACN-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESBrc1cccc(Br)c1NC1=NCCCC1
InChIInChI=1S/C11H12Br2N2/c12-8-4-3-5-9(13)11(8)15-10-6-1-2-7-14-10/h3-5H,1-2,6-7H2,(H,14,15)
InChIKeyYWTASVRZEJXMMT-UHFFFAOYSA-N
MW332.04 g/mol
LogP4.21
Rot. Bonds1

About N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 107598896) has the molecular formula C11H12Br2N2 and a molecular weight of 332.04 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID107598896
Molecular FormulaC11H12Br2N2
Molecular Weight332.04 g/mol
Exact Mass329.94
IUPAC NameN-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESBrc1cccc(Br)c1NC1=NCCCC1
InChIInChI=1S/C11H12Br2N2/c12-8-4-3-5-9(13)11(8)15-10-6-1-2-7-14-10/h3-5H,1-2,6-7H2,(H,14,15)
InChIKeyYWTASVRZEJXMMT-UHFFFAOYSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.04
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 107598896) is N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine is Brc1cccc(Br)c1NC1=NCCCC1.
What is the InChIKey of N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is YWTASVRZEJXMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2/c12-8-4-3-5-9(13)11(8)15-10-6-1-2-7-14-10/h3-5H,1-2,6-7H2,(H,14,15).
What are the key properties of N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 332.04 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 107598896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).