5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol

C15H17FN2O — CID 63068848

IUPAC5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
SMILESCC(NCCc1ccncc1)c1ccc(F)cc1O
InChIInChI=1S/C15H17FN2O/c1-11(14-3-2-13(16)10-15(14)19)18-9-6-12-4-7-17-8-5-12/h2-5,7-8,10-11,18-19H,6,9H2,1H3
InChIKeyXNVLYDJNRPGYBQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.82
Rot. Bonds5

About 5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol

5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol (PubChem CID 63068848) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
PubChem CID63068848
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
SMILESCC(NCCc1ccncc1)c1ccc(F)cc1O
InChIInChI=1S/C15H17FN2O/c1-11(14-3-2-13(16)10-15(14)19)18-9-6-12-4-7-17-8-5-12/h2-5,7-8,10-11,18-19H,6,9H2,1H3
InChIKeyXNVLYDJNRPGYBQ-UHFFFAOYSA-N
XLogP2.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 60903278
5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 63068009
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol
CID 103779130
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide
CID 63064431
1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903726
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 104582209
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
CID 63828726
5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83142009
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073
1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 82773330

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol (CID 63068848) is 5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol is CC(NCCc1ccncc1)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol?
The InChIKey is XNVLYDJNRPGYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(14-3-2-13(16)10-15(14)19)18-9-6-12-4-7-17-8-5-12/h2-5,7-8,10-11,18-19H,6,9H2,1H3.
What are the key properties of 5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol?
5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol has a molecular weight of 260.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol is sourced from PubChem (CID 63068848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).