4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol

C16H17F2NO — CID 43680984

IUPAC4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol
SMILESCC(NC(C)c1ccc(F)c(F)c1)c1ccc(O)cc1
InChIInChI=1S/C16H17F2NO/c1-10(12-3-6-14(20)7-4-12)19-11(2)13-5-8-15(17)16(18)9-13/h3-11,19-20H,1-2H3
InChIKeyPSLGLNIHPHLJMG-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.08
Rot. Bonds4

About 4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol

4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol (PubChem CID 43680984) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol
PubChem CID43680984
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol
SMILESCC(NC(C)c1ccc(F)c(F)c1)c1ccc(O)cc1
InChIInChI=1S/C16H17F2NO/c1-10(12-3-6-14(20)7-4-12)19-11(2)13-5-8-15(17)16(18)9-13/h3-11,19-20H,1-2H3
InChIKeyPSLGLNIHPHLJMG-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol
CID 43680964
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715286
3-[1-(3,4-difluorophenyl)ethylamino]butan-1-ol
CID 79145040
N-[1-(3,4-difluorophenyl)ethyl]but-3-en-2-amine
CID 115728047
3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol
CID 107715262
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 103717148
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol?
The IUPAC name of 4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol (CID 43680984) is 4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol is CC(NC(C)c1ccc(F)c(F)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol?
The InChIKey is PSLGLNIHPHLJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10(12-3-6-14(20)7-4-12)19-11(2)13-5-8-15(17)16(18)9-13/h3-11,19-20H,1-2H3.
What are the key properties of 4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol?
4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol has a molecular weight of 277.31 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 43680984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).