1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine

C16H18BrFN2 — CID 114348314

IUPAC1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1ccc(Br)cn1
InChIInChI=1S/C16H18BrFN2/c1-3-19-16(15-7-5-13(17)10-20-15)9-12-4-6-14(18)8-11(12)2/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyZMXHVQBMJROARQ-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.18
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine

1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 114348314) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID114348314
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1ccc(Br)cn1
InChIInChI=1S/C16H18BrFN2/c1-3-19-16(15-7-5-13(17)10-20-15)9-12-4-6-14(18)8-11(12)2/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyZMXHVQBMJROARQ-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

1-(5-bromo-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050998
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723771
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794282
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62600046
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 114856477
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 79706079
N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
CID 79707449
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine
CID 114347672
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051140
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051314
2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723631

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine (CID 114348314) is 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1ccc(F)cc1C)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is ZMXHVQBMJROARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-3-19-16(15-7-5-13(17)10-20-15)9-12-4-6-14(18)8-11(12)2/h4-8,10,16,19H,3,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)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 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 114348314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).