2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol

C15H17FN2O3 — CID 107685440

IUPAC2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol
SMILESCOCCOc1ccc(NCc2ccc(O)c(F)c2)cn1
InChIInChI=1S/C15H17FN2O3/c1-20-6-7-21-15-5-3-12(10-18-15)17-9-11-2-4-14(19)13(16)8-11/h2-5,8,10,17,19H,6-7,9H2,1H3
InChIKeyJPCIEUVGUFQLTE-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.56
Rot. Bonds7

About 2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol

2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol (PubChem CID 107685440) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol
PubChem CID107685440
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol
SMILESCOCCOc1ccc(NCc2ccc(O)c(F)c2)cn1
InChIInChI=1S/C15H17FN2O3/c1-20-6-7-21-15-5-3-12(10-18-15)17-9-11-2-4-14(19)13(16)8-11/h2-5,8,10,17,19H,6-7,9H2,1H3
InChIKeyJPCIEUVGUFQLTE-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 43688357
4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol
CID 43688370
2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379922
N-[(2,6-difluorophenyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688333
N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 81432610
2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol
CID 78885021
2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol
CID 69341790
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387
4-[(3-bromo-4-fluoroanilino)methyl]-2-fluorophenol
CID 107686001
3-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2,2-dimethylpropanamide
CID 100782715
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine
CID 43688348
6-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
CID 43688430

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol (CID 107685440) is 2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol is COCCOc1ccc(NCc2ccc(O)c(F)c2)cn1.
What is the InChIKey of 2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol?
The InChIKey is JPCIEUVGUFQLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-20-6-7-21-15-5-3-12(10-18-15)17-9-11-2-4-14(19)13(16)8-11/h2-5,8,10,17,19H,6-7,9H2,1H3.
What are the key properties of 2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol?
2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol has a molecular weight of 292.31 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 107685440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).