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

C16H18BrFN2 — CID 105132112

IUPAC2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)c1cccnc1C
InChIInChI=1S/C16H18BrFN2/c1-3-19-16(14-5-4-8-20-11(14)2)10-12-9-13(17)6-7-15(12)18/h4-9,16,19H,3,10H2,1-2H3
InChIKeyVUMRHBFKMXXFKN-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.18
Rot. Bonds5

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

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine (PubChem CID 105132112) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
PubChem CID105132112
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)c1cccnc1C
InChIInChI=1S/C16H18BrFN2/c1-3-19-16(14-5-4-8-20-11(14)2)10-12-9-13(17)6-7-15(12)18/h4-9,16,19H,3,10H2,1-2H3
InChIKeyVUMRHBFKMXXFKN-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

[2-(5-bromo-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]hydrazine
CID 105294921
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732649
3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 114894906
N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103053112
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115839366
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105131942
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62601747
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207
2-(5-bromo-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115839138
N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105181736
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923349

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine (CID 105132112) is 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine is CCNC(Cc1cc(Br)ccc1F)c1cccnc1C.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine?
The InChIKey is VUMRHBFKMXXFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-3-19-16(14-5-4-8-20-11(14)2)10-12-9-13(17)6-7-15(12)18/h4-9,16,19H,3,10H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine?
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-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-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105132112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).