1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine

C16H17BrFN — CID 43565956

IUPAC1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1cccc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrFN/c1-12(14-5-7-15(17)8-6-14)19-10-9-13-3-2-4-16(18)11-13/h2-8,11-12,19H,9-10H2,1H3
InChIKeyKPQPLMUEZMXJHT-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.48
Rot. Bonds5

About 1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine

1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine (PubChem CID 43565956) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
PubChem CID43565956
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1cccc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrFN/c1-12(14-5-7-15(17)8-6-14)19-10-9-13-3-2-4-16(18)11-13/h2-8,11-12,19H,9-10H2,1H3
InChIKeyKPQPLMUEZMXJHT-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565881
1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 63476814
1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565905
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43191748
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
N-[2-(3-fluorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117836
4-[2-[1-(4-bromophenyl)ethylamino]ethyl]phenol
CID 61238708
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160
1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43777654

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine (CID 43565956) is 1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine is CC(NCCc1cccc(F)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The InChIKey is KPQPLMUEZMXJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-12(14-5-7-15(17)8-6-14)19-10-9-13-3-2-4-16(18)11-13/h2-8,11-12,19H,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine?
1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43565956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).