1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine

C15H16BrFN2 — CID 103779508

IUPAC1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
SMILESCC(NC(C)c1cncc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrFN2/c1-10(12-3-5-14(16)6-4-12)19-11(2)13-7-15(17)9-18-8-13/h3-11,19H,1-2H3
InChIKeyTWEIHRWMZRROGB-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine

1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine (PubChem CID 103779508) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
PubChem CID103779508
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
SMILESCC(NC(C)c1cncc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrFN2/c1-10(12-3-5-14(16)6-4-12)19-11(2)13-7-15(17)9-18-8-13/h3-11,19H,1-2H3
InChIKeyTWEIHRWMZRROGB-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

N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
(1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103578530
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
1-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 103788099
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
(1S)-1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]ethanamine
CID 81354920
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 103779314
3-bromo-N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114262019

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine (CID 103779508) is 1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine is CC(NC(C)c1cncc(F)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine?
The InChIKey is TWEIHRWMZRROGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10(12-3-5-14(16)6-4-12)19-11(2)13-7-15(17)9-18-8-13/h3-11,19H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine?
1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]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-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine is sourced from PubChem (CID 103779508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).