1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine

C14H13BrFN — CID 62500949

IUPAC1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
SMILESCC(N)(c1ccccc1F)c1ccccc1Br
InChIInChI=1S/C14H13BrFN/c1-14(17,10-6-2-4-8-12(10)15)11-7-3-5-9-13(11)16/h2-9H,17H2,1H3
InChIKeySPHTWVPLLCLSKI-UHFFFAOYSA-N
MW294.17 g/mol
LogP3.81
Rot. Bonds2

About 1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine

1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine (PubChem CID 62500949) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
PubChem CID62500949
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC Name1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
SMILESCC(N)(c1ccccc1F)c1ccccc1Br
InChIInChI=1S/C14H13BrFN/c1-14(17,10-6-2-4-8-12(10)15)11-7-3-5-9-13(11)16/h2-9H,17H2,1H3
InChIKeySPHTWVPLLCLSKI-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-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82820253
1-(2-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807426
1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 62789032
1-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62787303
1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 55120471
1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62787298
1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659022
1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine
CID 106265824
1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106644707
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 82819787
1-(2-fluorophenyl)-1-thiophen-3-ylethanamine
CID 65099629
2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine
CID 112653207

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine (CID 62500949) is 1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine is CC(N)(c1ccccc1F)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine?
The InChIKey is SPHTWVPLLCLSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c1-14(17,10-6-2-4-8-12(10)15)11-7-3-5-9-13(11)16/h2-9H,17H2,1H3.
What are the key properties of 1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine?
1-(2-bromophenyl)-1-(2-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-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 62500949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).