1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine

C15H16BrFN2 — CID 43768152

IUPAC1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
SMILESCC(NC(C)c1ccc(F)c(Br)c1)c1cccnc1
InChIInChI=1S/C15H16BrFN2/c1-10(12-5-6-15(17)14(16)8-12)19-11(2)13-4-3-7-18-9-13/h3-11,19H,1-2H3
InChIKeyZIWBBLVPXCCUHC-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.39
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine

1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine (PubChem CID 43768152) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
PubChem CID43768152
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
SMILESCC(NC(C)c1ccc(F)c(Br)c1)c1cccnc1
InChIInChI=1S/C15H16BrFN2/c1-10(12-5-6-15(17)14(16)8-12)19-11(2)13-4-3-7-18-9-13/h3-11,19H,1-2H3
InChIKeyZIWBBLVPXCCUHC-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-(3-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81344921
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407566
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 60944542
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 82964366
2-bromo-4,6-difluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43347635
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-(4-methylsulfanylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139134
1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403303

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine (CID 43768152) is 1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine is CC(NC(C)c1ccc(F)c(Br)c1)c1cccnc1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine?
The InChIKey is ZIWBBLVPXCCUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10(12-5-6-15(17)14(16)8-12)19-11(2)13-4-3-7-18-9-13/h3-11,19H,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine?
1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-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-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 43768152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).