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

C13H17BrN2 — CID 107573549

IUPACN-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1cc(NC2=NCCCC2)cc(C)c1Br
InChIInChI=1S/C13H17BrN2/c1-9-7-11(8-10(2)13(9)14)16-12-5-3-4-6-15-12/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyXHHIHUHAQSWAEP-UHFFFAOYSA-N
MW281.20 g/mol
LogP4.06
Rot. Bonds1

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

N-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 107573549) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID107573549
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCc1cc(NC2=NCCCC2)cc(C)c1Br
InChIInChI=1S/C13H17BrN2/c1-9-7-11(8-10(2)13(9)14)16-12-5-3-4-6-15-12/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyXHHIHUHAQSWAEP-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 107573549) is N-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine is Cc1cc(NC2=NCCCC2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is XHHIHUHAQSWAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-9-7-11(8-10(2)13(9)14)16-12-5-3-4-6-15-12/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 281.20 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 107573549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).