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

C12H14Br2N2 — CID 79508005

IUPACN-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1cc(Br)c(NC2=NCCCC2)c(Br)c1
InChIInChI=1S/C12H14Br2N2/c1-8-6-9(13)12(10(14)7-8)16-11-4-2-3-5-15-11/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyBMKKUWCBFVZMCE-UHFFFAOYSA-N
MW346.07 g/mol
LogP4.51
Rot. Bonds1

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

N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79508005) has the molecular formula C12H14Br2N2 and a molecular weight of 346.07 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79508005
Molecular FormulaC12H14Br2N2
Molecular Weight346.07 g/mol
Exact Mass343.95
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1cc(Br)c(NC2=NCCCC2)c(Br)c1
InChIInChI=1S/C12H14Br2N2/c1-8-6-9(13)12(10(14)7-8)16-11-4-2-3-5-15-11/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyBMKKUWCBFVZMCE-UHFFFAOYSA-N
XLogP4.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.07
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79508005) is N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine is Cc1cc(Br)c(NC2=NCCCC2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is BMKKUWCBFVZMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2/c1-8-6-9(13)12(10(14)7-8)16-11-4-2-3-5-15-11/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 346.07 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79508005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).