N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine

C15H16BrFN2 — CID 103775505

IUPACN-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(NC(C)c1ccc(F)cc1Br)c1ccncc1
InChIInChI=1S/C15H16BrFN2/c1-10(12-5-7-18-8-6-12)19-11(2)14-4-3-13(17)9-15(14)16/h3-11,19H,1-2H3
InChIKeyYCBITBNACRVJCJ-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.39
Rot. Bonds4

About N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine

N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 103775505) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID103775505
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(NC(C)c1ccc(F)cc1Br)c1ccncc1
InChIInChI=1S/C15H16BrFN2/c1-10(12-5-7-18-8-6-12)19-11(2)14-4-3-13(17)9-15(14)16/h3-11,19H,1-2H3
InChIKeyYCBITBNACRVJCJ-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 103931399
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
1-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103778517
N-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 113354114
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81380816
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
3-[1-(2-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 115722179
N-[1-(2-bromo-4-fluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 104860307
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol
CID 113261992
(1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405415

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine (CID 103775505) is N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine is CC(NC(C)c1ccc(F)cc1Br)c1ccncc1.
What is the InChIKey of N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is YCBITBNACRVJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10(12-5-7-18-8-6-12)19-11(2)14-4-3-13(17)9-15(14)16/h3-11,19H,1-2H3.
What are the key properties of N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine has a molecular weight of 323.21 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 103775505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).