4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol

C17H20FNO — CID 107715500

IUPAC4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
SMILESCCc1ccc(CNC(C)c2ccc(O)cc2F)cc1
InChIInChI=1S/C17H20FNO/c1-3-13-4-6-14(7-5-13)11-19-12(2)16-9-8-15(20)10-17(16)18/h4-10,12,19-20H,3,11H2,1-2H3
InChIKeyYPGYZLUMZAGBIE-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.94
Rot. Bonds5

About 4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol

4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol (PubChem CID 107715500) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
PubChem CID107715500
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
SMILESCCc1ccc(CNC(C)c2ccc(O)cc2F)cc1
InChIInChI=1S/C17H20FNO/c1-3-13-4-6-14(7-5-13)11-19-12(2)16-9-8-15(20)10-17(16)18/h4-10,12,19-20H,3,11H2,1-2H3
InChIKeyYPGYZLUMZAGBIE-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol
CID 107714930
1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 43080562
4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol
CID 107715200
1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
CID 122135317
4-[1-[(4-bromophenyl)methylamino]ethyl]benzene-1,3-diol
CID 60735142
2,6-dibromo-4-[[1-(2,4-difluorophenyl)ethylamino]methyl]phenol
CID 103602836
3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol
CID 107715132
N-[(4-ethylphenyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106899409
3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
CID 107715334
2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 107715392
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol (CID 107715500) is 4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol is CCc1ccc(CNC(C)c2ccc(O)cc2F)cc1.
What is the InChIKey of 4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol?
The InChIKey is YPGYZLUMZAGBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-13-4-6-14(7-5-13)11-19-12(2)16-9-8-15(20)10-17(16)18/h4-10,12,19-20H,3,11H2,1-2H3.
What are the key properties of 4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol?
4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol has a molecular weight of 273.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol is sourced from PubChem (CID 107715500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).