2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol

C16H16BrF2NO — CID 60979926

IUPAC2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol
SMILESCC(NCC(O)c1cc(F)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrF2NO/c1-10(11-2-4-12(17)5-3-11)20-9-16(21)14-8-13(18)6-7-15(14)19/h2-8,10,16,20-21H,9H2,1H3
InChIKeyZWTWQIOAQIVKAL-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.11
Rot. Bonds5

About 2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol

2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol (PubChem CID 60979926) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol
PubChem CID60979926
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol
SMILESCC(NCC(O)c1cc(F)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrF2NO/c1-10(11-2-4-12(17)5-3-11)20-9-16(21)14-8-13(18)6-7-15(14)19/h2-8,10,16,20-21H,9H2,1H3
InChIKeyZWTWQIOAQIVKAL-UHFFFAOYSA-N
XLogP4.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60980572
1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
CID 81347558
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867817
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81348797
2-(but-3-yn-2-ylamino)-1-(2,5-difluorophenyl)ethanol
CID 114416982
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol
CID 81382557
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
2-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-methylbutan-1-ol
CID 79249000
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol
CID 81301682
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol?
The IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol (CID 60979926) is 2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol is CC(NCC(O)c1cc(F)ccc1F)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol?
The InChIKey is ZWTWQIOAQIVKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-10(11-2-4-12(17)5-3-11)20-9-16(21)14-8-13(18)6-7-15(14)19/h2-8,10,16,20-21H,9H2,1H3.
What are the key properties of 2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol?
2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol has a molecular weight of 356.21 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 60979926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).