1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine

C14H13BrFN — CID 54919280

IUPAC1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine
SMILESCC(N)(c1ccc(F)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrFN/c1-14(17,10-5-7-13(16)8-6-10)11-3-2-4-12(15)9-11/h2-9H,17H2,1H3
InChIKeyKDYKCFNQFKFBKS-UHFFFAOYSA-N
MW294.17 g/mol
LogP3.81
Rot. Bonds2

About 1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine

1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine (PubChem CID 54919280) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine
PubChem CID54919280
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC Name1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine
SMILESCC(N)(c1ccc(F)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrFN/c1-14(17,10-5-7-13(16)8-6-10)11-3-2-4-12(15)9-11/h2-9H,17H2,1H3
InChIKeyKDYKCFNQFKFBKS-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 55165628
1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 62916529
1-(3-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54919053
1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine
CID 106941571
1-(4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 60799030
1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine
CID 79595826
2-(3-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 55187527
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104659021
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)propan-2-amine
CID 63408364
3-(3-bromophenyl)-3-methylbutan-2-amine
CID 83693037
1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene
CID 168738433

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine (CID 54919280) is 1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine is CC(N)(c1ccc(F)cc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine?
The InChIKey is KDYKCFNQFKFBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c1-14(17,10-5-7-13(16)8-6-10)11-3-2-4-12(15)9-11/h2-9H,17H2,1H3.
What are the key properties of 1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine?
1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine has a molecular weight of 294.17 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 54919280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).