1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine

C15H16BrFN2 — CID 66447661

IUPAC1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ncccc1C)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H16BrFN2/c1-10-4-3-7-19-14(10)9-15(18-2)11-5-6-12(16)13(17)8-11/h3-8,15,18H,9H2,1-2H3
InChIKeyGWOXLZJBHBYVSA-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.79
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine

1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 66447661) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID66447661
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ncccc1C)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H16BrFN2/c1-10-4-3-7-19-14(10)9-15(18-2)11-5-6-12(16)13(17)8-11/h3-8,15,18H,9H2,1-2H3
InChIKeyGWOXLZJBHBYVSA-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

1-(3,4-difluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446480
1-(4-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447073
1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446677
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786942
1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446680
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809591
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 102883527
1-(4-bromo-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864029
3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 82809316
1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448055
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine
CID 104994455

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine (CID 66447661) is 1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine is CNC(Cc1ncccc1C)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is GWOXLZJBHBYVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10-4-3-7-19-14(10)9-15(18-2)11-5-6-12(16)13(17)8-11/h3-8,15,18H,9H2,1-2H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine?
1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-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 1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66447661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).