1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine

C16H16BrF2N — CID 62603943

IUPAC1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1ccccc1Br
InChIInChI=1S/C16H16BrF2N/c1-2-20-15(12-7-3-4-8-13(12)17)10-11-6-5-9-14(18)16(11)19/h3-9,15,20H,2,10H2,1H3
InChIKeyRARYPTQAQLFHOX-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.62
Rot. Bonds5

About 1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine

1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine (PubChem CID 62603943) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
PubChem CID62603943
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1ccccc1Br
InChIInChI=1S/C16H16BrF2N/c1-2-20-15(12-7-3-4-8-13(12)17)10-11-6-5-9-14(18)16(11)19/h3-9,15,20H,2,10H2,1H3
InChIKeyRARYPTQAQLFHOX-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 114559964
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 106854724
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 64714713
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
2-(2-bromophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-ethylethanamine
CID 115787263
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691
1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 82871396
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105020475

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine (CID 62603943) is 1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1F)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine?
The InChIKey is RARYPTQAQLFHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-2-20-15(12-7-3-4-8-13(12)17)10-11-6-5-9-14(18)16(11)19/h3-9,15,20H,2,10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine?
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 62603943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).