1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

C15H16BrFN2 — CID 103931399

IUPAC1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccn1)c1ccc(F)cc1Br
InChIInChI=1S/C15H16BrFN2/c1-10(13-7-6-12(17)9-14(13)16)19-11(2)15-5-3-4-8-18-15/h3-11,19H,1-2H3/t10?,11-/m0/s1
InChIKeyWZBMKVCGJOWDDC-DTIOYNMSSA-N
MW323.21 g/mol
LogP4.39
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (PubChem CID 103931399) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
PubChem CID103931399
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccn1)c1ccc(F)cc1Br
InChIInChI=1S/C15H16BrFN2/c1-10(13-7-6-12(17)9-14(13)16)19-11(2)15-5-3-4-8-18-15/h3-11,19H,1-2H3/t10?,11-/m0/s1
InChIKeyWZBMKVCGJOWDDC-DTIOYNMSSA-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-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401324
N-[1-(2,5-difluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 43202625
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 103775505
3-fluoro-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 107714620
N-[1-(2-bromophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117357
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
3-[1-(2-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 115722179
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
2-(2-bromo-4-fluorophenoxy)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 25357467

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (CID 103931399) is 1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is CC(N[C@@H](C)c1ccccn1)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The InChIKey is WZBMKVCGJOWDDC-DTIOYNMSSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10(13-7-6-12(17)9-14(13)16)19-11(2)15-5-3-4-8-18-15/h3-11,19H,1-2H3/t10?,11-/m0/s1.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]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 1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is sourced from PubChem (CID 103931399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).