2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine

C15H15BrF2N2 — CID 106268375

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCc1cnc(C(N)Cc2c(F)ccc(Br)c2F)c(C)c1
InChIInChI=1S/C15H15BrF2N2/c1-8-5-9(2)15(20-7-8)13(19)6-10-12(17)4-3-11(16)14(10)18/h3-5,7,13H,6,19H2,1-2H3
InChIKeyZIWNYYKJMPVNIF-UHFFFAOYSA-N
MW341.20 g/mol
LogP3.98
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine (PubChem CID 106268375) has the molecular formula C15H15BrF2N2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
PubChem CID106268375
Molecular FormulaC15H15BrF2N2
Molecular Weight341.20 g/mol
Exact Mass340.04
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCc1cnc(C(N)Cc2c(F)ccc(Br)c2F)c(C)c1
InChIInChI=1S/C15H15BrF2N2/c1-8-5-9(2)15(20-7-8)13(19)6-10-12(17)4-3-11(16)14(10)18/h3-5,7,13H,6,19H2,1-2H3
InChIKeyZIWNYYKJMPVNIF-UHFFFAOYSA-N
XLogP3.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106274038
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 114856908
1-(3,5-dimethyl-2-pyridinyl)-2-(2-fluorophenyl)ethanamine
CID 113365597
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 106273635
2-(3-bromo-2,6-difluorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 106274016
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
2-(3-bromo-2,6-difluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 106268120
2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 104803955
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 106267811
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
CID 106268783
2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine
CID 106266739

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine (CID 106268375) is 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine is Cc1cnc(C(N)Cc2c(F)ccc(Br)c2F)c(C)c1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine?
The InChIKey is ZIWNYYKJMPVNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2/c1-8-5-9(2)15(20-7-8)13(19)6-10-12(17)4-3-11(16)14(10)18/h3-5,7,13H,6,19H2,1-2H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine has a molecular weight of 341.20 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 106268375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).