4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol

C16H17BrFNO — CID 103779130

IUPAC4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ccc(O)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C16H17BrFNO/c1-11(15-7-4-13(18)10-16(15)17)19-9-8-12-2-5-14(20)6-3-12/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyHPTSAZXOFOVGKW-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.19
Rot. Bonds5

About 4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol

4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol (PubChem CID 103779130) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol
PubChem CID103779130
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ccc(O)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C16H17BrFNO/c1-11(15-7-4-13(18)10-16(15)17)19-9-8-12-2-5-14(20)6-3-12/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyHPTSAZXOFOVGKW-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103778176
1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 106043231
N-[1-(2-bromo-4-fluorophenyl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 103904216
5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 63068848
1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259760
1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 82961644
N-[1-(2-bromo-4-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 103775462
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115717189
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 103775939
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 114068412
4-[2-[1-(4-bromophenyl)ethylamino]ethyl]phenol
CID 61238708

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol?
The IUPAC name of 4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol (CID 103779130) is 4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol is CC(NCCc1ccc(O)cc1)c1ccc(F)cc1Br.
What is the InChIKey of 4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol?
The InChIKey is HPTSAZXOFOVGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(15-7-4-13(18)10-16(15)17)19-9-8-12-2-5-14(20)6-3-12/h2-7,10-11,19-20H,8-9H2,1H3.
What are the key properties of 4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol?
4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol has a molecular weight of 338.22 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 103779130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).