2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol

C16H16BrF2NO — CID 81382557

IUPAC2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol
SMILESC[C@@H](NCC(O)c1ccc(F)cc1F)c1cccc(Br)c1
InChIInChI=1S/C16H16BrF2NO/c1-10(11-3-2-4-12(17)7-11)20-9-16(21)14-6-5-13(18)8-15(14)19/h2-8,10,16,20-21H,9H2,1H3/t10-,16?/m1/s1
InChIKeyGWCJHORNXPZNBY-HQNRFAHOSA-N
MW356.21 g/mol
LogP4.11
Rot. Bonds5

About 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol

2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol (PubChem CID 81382557) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol
PubChem CID81382557
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol
SMILESC[C@@H](NCC(O)c1ccc(F)cc1F)c1cccc(Br)c1
InChIInChI=1S/C16H16BrF2NO/c1-10(11-3-2-4-12(17)7-11)20-9-16(21)14-6-5-13(18)8-15(14)19/h2-8,10,16,20-21H,9H2,1H3/t10-,16?/m1/s1
InChIKeyGWCJHORNXPZNBY-HQNRFAHOSA-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-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol
CID 60970927
1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81348797
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol
CID 60979926
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867817
1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408093
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 81381728
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol
CID 60980063

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol (CID 81382557) is 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol is C[C@@H](NCC(O)c1ccc(F)cc1F)c1cccc(Br)c1.
What is the InChIKey of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is GWCJHORNXPZNBY-HQNRFAHOSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-10(11-3-2-4-12(17)7-11)20-9-16(21)14-6-5-13(18)8-15(14)19/h2-8,10,16,20-21H,9H2,1H3/t10-,16?/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol?
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-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-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 81382557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).