1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine

C15H15BrF2N2 — CID 105014806

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCc1ccc(CC(N)c2c(F)cc(Br)cc2F)nc1
InChIInChI=1S/C15H15BrF2N2/c1-2-9-3-4-11(20-8-9)7-14(19)15-12(17)5-10(16)6-13(15)18/h3-6,8,14H,2,7,19H2,1H3
InChIKeyIPGAZDYEQGRBLH-UHFFFAOYSA-N
MW341.20 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine

1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine (PubChem CID 105014806) has the molecular formula C15H15BrF2N2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
PubChem CID105014806
Molecular FormulaC15H15BrF2N2
Molecular Weight341.20 g/mol
Exact Mass340.04
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCc1ccc(CC(N)c2c(F)cc(Br)cc2F)nc1
InChIInChI=1S/C15H15BrF2N2/c1-2-9-3-4-11(20-8-9)7-14(19)15-12(17)5-10(16)6-13(15)18/h3-6,8,14H,2,7,19H2,1H3
InChIKeyIPGAZDYEQGRBLH-UHFFFAOYSA-N
XLogP3.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79748010
1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803938
1-(3,5-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747813
1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 114330207
[1-(4-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105280856
1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740221
1-(2,6-dimethyl-4-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 107503102
2-(5-ethyl-2-pyridinyl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105168972
1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014621
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79740670
1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81437627
1-(3-chlorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747791

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine (CID 105014806) is 1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine is CCc1ccc(CC(N)c2c(F)cc(Br)cc2F)nc1.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The InChIKey is IPGAZDYEQGRBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2/c1-2-9-3-4-11(20-8-9)7-14(19)15-12(17)5-10(16)6-13(15)18/h3-6,8,14H,2,7,19H2,1H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine has a molecular weight of 341.20 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 105014806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).