2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine

C16H18BrFN2 — CID 79709700

IUPAC2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)c1cc(C)ccn1
InChIInChI=1S/C16H18BrFN2/c1-3-19-16(15-6-11(2)4-5-20-15)9-12-7-13(17)10-14(18)8-12/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyKGGWGKUGQWQGAU-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.18
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine (PubChem CID 79709700) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
PubChem CID79709700
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)c1cc(C)ccn1
InChIInChI=1S/C16H18BrFN2/c1-3-19-16(15-6-11(2)4-5-20-15)9-12-7-13(17)10-14(18)8-12/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyKGGWGKUGQWQGAU-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 55259074
N-ethyl-2-(4-ethylphenyl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63841394
N-[2-(3-bromo-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine
CID 115531001
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105015550
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 79709365
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840247
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 79709118
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
2-(3-bromo-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-ethylethanamine
CID 105169361
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105015428
N-[2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 79699836
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 113454942

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine (CID 79709700) is 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine is CCNC(Cc1cc(F)cc(Br)c1)c1cc(C)ccn1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine?
The InChIKey is KGGWGKUGQWQGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-3-19-16(15-6-11(2)4-5-20-15)9-12-7-13(17)10-14(18)8-12/h4-8,10,16,19H,3,9H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine?
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine has a molecular weight of 337.24 g/mol, XLogP of 4.18, 5 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-ethyl-1-(4-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 79709700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).