2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine

C15H16BrFN2 — CID 105169477

IUPAC2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1cncc(C)c1
InChIInChI=1S/C15H16BrFN2/c1-10-3-12(9-19-8-10)15(18-2)6-11-4-13(16)7-14(17)5-11/h3-5,7-9,15,18H,6H2,1-2H3
InChIKeyQXIBFDYXQAGSSO-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.79
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine

2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine (PubChem CID 105169477) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
PubChem CID105169477
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1cncc(C)c1
InChIInChI=1S/C15H16BrFN2/c1-10-3-12(9-19-8-10)15(18-2)6-11-4-13(16)7-14(17)5-11/h3-5,7-9,15,18H,6H2,1-2H3
InChIKeyQXIBFDYXQAGSSO-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromo-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 105324860
2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 113297174
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105137243
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105136403
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 55078368
2-(4-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105101832
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 103043135
2-(3,4-dimethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374488
N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 105137056
N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine (CID 105169477) is 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine is CNC(Cc1cc(F)cc(Br)c1)c1cncc(C)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine?
The InChIKey is QXIBFDYXQAGSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10-3-12(9-19-8-10)15(18-2)6-11-4-13(16)7-14(17)5-11/h3-5,7-9,15,18H,6H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine?
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine has a molecular weight of 323.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105169477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).