2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol

C16H17BrFNO — CID 81301682

IUPAC2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol
SMILESCC(NCC(O)c1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFNO/c1-11(14-9-13(17)7-8-15(14)18)19-10-16(20)12-5-3-2-4-6-12/h2-9,11,16,19-20H,10H2,1H3
InChIKeyBXZXIVJGYXXNNW-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.97
Rot. Bonds5

About 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol

2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol (PubChem CID 81301682) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol
PubChem CID81301682
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol
SMILESCC(NCC(O)c1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFNO/c1-11(14-9-13(17)7-8-15(14)18)19-10-16(20)12-5-3-2-4-6-12/h2-9,11,16,19-20H,10H2,1H3
InChIKeyBXZXIVJGYXXNNW-UHFFFAOYSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867817
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 82964758
2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
CID 82964590
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol
CID 60979926
1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
CID 81375499
2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol
CID 43776200
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 82963868
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol?
The IUPAC name of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol (CID 81301682) is 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol.
What is the SMILES notation for 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol?
The canonical SMILES for 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol is CC(NCC(O)c1ccccc1)c1cc(Br)ccc1F.
What is the InChIKey of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol?
The InChIKey is BXZXIVJGYXXNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(14-9-13(17)7-8-15(14)18)19-10-16(20)12-5-3-2-4-6-12/h2-9,11,16,19-20H,10H2,1H3.
What are the key properties of 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol?
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol has a molecular weight of 338.22 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol is sourced from PubChem (CID 81301682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).