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

C15H16BrFN2 — CID 105172090

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(N)Cc2cccc(F)c2Br)c(C)n1
InChIInChI=1S/C15H16BrFN2/c1-9-6-7-12(10(2)19-9)14(18)8-11-4-3-5-13(17)15(11)16/h3-7,14H,8,18H2,1-2H3
InChIKeyLFUAKDZSMRZFPO-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.84
Rot. Bonds3

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

2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine (PubChem CID 105172090) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
PubChem CID105172090
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(N)Cc2cccc(F)c2Br)c(C)n1
InChIInChI=1S/C15H16BrFN2/c1-9-6-7-12(10(2)19-9)14(18)8-11-4-3-5-13(17)15(11)16/h3-7,14H,8,18H2,1-2H3
InChIKeyLFUAKDZSMRZFPO-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methylphenyl)ethanamine
CID 105020445
2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107946486
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine
CID 105020396
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol
CID 105089661
2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine
CID 105172118
2-(2-chloro-3-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 112653700
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105172091
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105020643
2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105178864
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503218
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
CID 105020699

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine (CID 105172090) is 2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine is Cc1ccc(C(N)Cc2cccc(F)c2Br)c(C)n1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
The InChIKey is LFUAKDZSMRZFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-9-6-7-12(10(2)19-9)14(18)8-11-4-3-5-13(17)15(11)16/h3-7,14H,8,18H2,1-2H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine has a molecular weight of 323.21 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105172090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).