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

C12H13BrF2N2 — CID 135181563

IUPACN-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC1CCCC(Nc2c(F)cc(Br)cc2F)=N1
InChIInChI=1S/C12H13BrF2N2/c1-7-3-2-4-11(16-7)17-12-9(14)5-8(13)6-10(12)15/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyRNXHWXHRJTUQRR-UHFFFAOYSA-N
MW303.15 g/mol
LogP4.11
Rot. Bonds1

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

N-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 135181563) has the molecular formula C12H13BrF2N2 and a molecular weight of 303.15 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID135181563
Molecular FormulaC12H13BrF2N2
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC1CCCC(Nc2c(F)cc(Br)cc2F)=N1
InChIInChI=1S/C12H13BrF2N2/c1-7-3-2-4-11(16-7)17-12-9(14)5-8(13)6-10(12)15/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyRNXHWXHRJTUQRR-UHFFFAOYSA-N
XLogP4.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine (CID 135181563) is N-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine is CC1CCCC(Nc2c(F)cc(Br)cc2F)=N1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is RNXHWXHRJTUQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2/c1-7-3-2-4-11(16-7)17-12-9(14)5-8(13)6-10(12)15/h5-7H,2-4H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine?
N-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 303.15 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-2-methyl-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 135181563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).