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

C15H16BrFN2 — CID 79723771

IUPAC2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1ccc(F)cn1
InChIInChI=1S/C15H16BrFN2/c1-2-18-15(14-8-7-13(17)10-19-14)9-11-3-5-12(16)6-4-11/h3-8,10,15,18H,2,9H2,1H3
InChIKeyPOAAVOKIOIZKMO-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.88
Rot. Bonds5

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

2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 79723771) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID79723771
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1ccc(F)cn1
InChIInChI=1S/C15H16BrFN2/c1-2-18-15(14-8-7-13(17)10-19-14)9-11-3-5-12(16)6-4-11/h3-8,10,15,18H,2,9H2,1H3
InChIKeyPOAAVOKIOIZKMO-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine
CID 79713745
2-(3,5-difluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 105406641
2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723631
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348314
2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79722736
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79713121
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 79706079
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723632
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133
1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736768
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 114856477
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine (CID 79723771) is 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine is CCNC(Cc1ccc(Br)cc1)c1ccc(F)cn1.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is POAAVOKIOIZKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-2-18-15(14-8-7-13(17)10-19-14)9-11-3-5-12(16)6-4-11/h3-8,10,15,18H,2,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 323.21 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 79723771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).