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

C15H16BrFN2 — CID 83117357

IUPACN-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(NC(C)c1ccccc1Br)c1ccc(F)cn1
InChIInChI=1S/C15H16BrFN2/c1-10(13-5-3-4-6-14(13)16)19-11(2)15-8-7-12(17)9-18-15/h3-11,19H,1-2H3
InChIKeyPBTKWTFKBZMOBD-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.39
Rot. Bonds4

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

N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 83117357) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID83117357
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(NC(C)c1ccccc1Br)c1ccc(F)cn1
InChIInChI=1S/C15H16BrFN2/c1-10(13-5-3-4-6-14(13)16)19-11(2)15-8-7-12(17)9-18-15/h3-11,19H,1-2H3
InChIKeyPBTKWTFKBZMOBD-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

(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 103931399
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674233
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 81383317
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068
1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 83117358

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine (CID 83117357) is N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine is CC(NC(C)c1ccccc1Br)c1ccc(F)cn1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is PBTKWTFKBZMOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10(13-5-3-4-6-14(13)16)19-11(2)15-8-7-12(17)9-18-15/h3-11,19H,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine 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-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 83117357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).