2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol

C15H17FN2O3 — CID 109379922

IUPAC2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
SMILESCOc1ccc(CNc2ccc(OCCO)nc2)cc1F
InChIInChI=1S/C15H17FN2O3/c1-20-14-4-2-11(8-13(14)16)9-17-12-3-5-15(18-10-12)21-7-6-19/h2-5,8,10,17,19H,6-7,9H2,1H3
InChIKeyKHBLDGHRWAAWND-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.21
Rot. Bonds7

About 2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol

2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol (PubChem CID 109379922) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
PubChem CID109379922
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
SMILESCOc1ccc(CNc2ccc(OCCO)nc2)cc1F
InChIInChI=1S/C15H17FN2O3/c1-20-14-4-2-11(8-13(14)16)9-17-12-3-5-15(18-10-12)21-7-6-19/h2-5,8,10,17,19H,6-7,9H2,1H3
InChIKeyKHBLDGHRWAAWND-UHFFFAOYSA-N
XLogP2.21
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 99841271
2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol
CID 107685440
2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol
CID 78885021
2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol
CID 109379984
N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 81432610
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
CID 83308187
4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile
CID 109379854
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 43235500
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 43688357
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol (CID 109379922) is 2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol is COc1ccc(CNc2ccc(OCCO)nc2)cc1F.
What is the InChIKey of 2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol?
The InChIKey is KHBLDGHRWAAWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-20-14-4-2-11(8-13(14)16)9-17-12-3-5-15(18-10-12)21-7-6-19/h2-5,8,10,17,19H,6-7,9H2,1H3.
What are the key properties of 2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol?
2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol has a molecular weight of 292.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 109379922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).