2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol

C16H17F2NO — CID 61236588

IUPAC2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol
SMILESCC(Nc1ccc(CCO)cc1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2NO/c1-11(16-14(17)3-2-4-15(16)18)19-13-7-5-12(6-8-13)9-10-20/h2-8,11,19-20H,9-10H2,1H3
InChIKeyBKSYIUGJJUGSTC-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.67
Rot. Bonds5

About 2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol

2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol (PubChem CID 61236588) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol
PubChem CID61236588
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol
SMILESCC(Nc1ccc(CCO)cc1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2NO/c1-11(16-14(17)3-2-4-15(16)18)19-13-7-5-12(6-8-13)9-10-20/h2-8,11,19-20H,9-10H2,1H3
InChIKeyBKSYIUGJJUGSTC-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 43747251
2-[4-[1-(4-fluorophenyl)ethylamino]phenyl]ethanol
CID 61236407
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
CID 61236945
N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
CID 43192263
2-[4-[1-(3-bromo-4-fluorophenyl)ethylamino]phenyl]ethanol
CID 61236609
2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927
2-[1-(4-propylanilino)ethyl]benzene-1,3-diol
CID 107710477
2-[4-(2-hydroxyethyl)anilino]propanoic acid
CID 66174351
2-[4-[1-[4-(dimethylamino)phenyl]ethylamino]phenyl]ethanol
CID 61238255
2-[4-(pentan-2-ylamino)phenyl]ethanol
CID 61237126
2-[4-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]ethanol
CID 103932218
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol (CID 61236588) is 2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol is CC(Nc1ccc(CCO)cc1)c1c(F)cccc1F.
What is the InChIKey of 2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol?
The InChIKey is BKSYIUGJJUGSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(16-14(17)3-2-4-15(16)18)19-13-7-5-12(6-8-13)9-10-20/h2-8,11,19-20H,9-10H2,1H3.
What are the key properties of 2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol?
2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol has a molecular weight of 277.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol is sourced from PubChem (CID 61236588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).