2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol

C16H17BrFNO — CID 61236609

IUPAC2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol
SMILESCC(Nc1ccc(CCO)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11(13-4-7-16(18)15(17)10-13)19-14-5-2-12(3-6-14)8-9-20/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyPZMNKUBGFWVBDZ-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.30
Rot. Bonds5

About 2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol

2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol (PubChem CID 61236609) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol
PubChem CID61236609
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol
SMILESCC(Nc1ccc(CCO)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11(13-4-7-16(18)15(17)10-13)19-14-5-2-12(3-6-14)8-9-20/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyPZMNKUBGFWVBDZ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[1-(4-fluorophenyl)ethylamino]phenyl]ethanol
CID 61236407
N-[1-(3-bromo-4-fluorophenyl)ethyl]aniline
CID 43756125
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
CID 61236945
1-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778749
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-ethoxyaniline
CID 43757906
2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927
methyl 4-[1-(3-bromo-4-fluorophenyl)ethylamino]benzoate
CID 43774296
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-nitroaniline
CID 43785837
2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol
CID 61236588
3-bromo-N-[1-(3,5-difluorophenyl)ethyl]-4-fluoroaniline
CID 104775807
3-[1-(3-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 81339647
2-[4-[1-[4-(dimethylamino)phenyl]ethylamino]phenyl]ethanol
CID 61238255

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol (CID 61236609) is 2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol is CC(Nc1ccc(CCO)cc1)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol?
The InChIKey is PZMNKUBGFWVBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(13-4-7-16(18)15(17)10-13)19-14-5-2-12(3-6-14)8-9-20/h2-7,10-11,19-20H,8-9H2,1H3.
What are the key properties of 2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol?
2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol has a molecular weight of 338.22 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol is sourced from PubChem (CID 61236609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).