2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol

C16H20N2O3 — CID 99841271

IUPAC2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
SMILESCOc1cc(CNc2ccc(OCCO)nc2)ccc1C
InChIInChI=1S/C16H20N2O3/c1-12-3-4-13(9-15(12)20-2)10-17-14-5-6-16(18-11-14)21-8-7-19/h3-6,9,11,17,19H,7-8,10H2,1-2H3
InChIKeyHGBMSTUNWAOWIB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.38
Rot. Bonds7

About 2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol

2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol (PubChem CID 99841271) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
PubChem CID99841271
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
SMILESCOc1cc(CNc2ccc(OCCO)nc2)ccc1C
InChIInChI=1S/C16H20N2O3/c1-12-3-4-13(9-15(12)20-2)10-17-14-5-6-16(18-11-14)21-8-7-19/h3-6,9,11,17,19H,7-8,10H2,1-2H3
InChIKeyHGBMSTUNWAOWIB-UHFFFAOYSA-N
XLogP2.38
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379922
2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol
CID 109379984
2-[[5-[(2,4-dimethylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379933
4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile
CID 109379854
4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 43688357
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile
CID 106786755
2-methoxy-5-[[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]methyl]phenol
CID 78885021
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol
CID 107685440
2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol (CID 99841271) is 2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol is COc1cc(CNc2ccc(OCCO)nc2)ccc1C.
What is the InChIKey of 2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol?
The InChIKey is HGBMSTUNWAOWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-3-4-13(9-15(12)20-2)10-17-14-5-6-16(18-11-14)21-8-7-19/h3-6,9,11,17,19H,7-8,10H2,1-2H3.
What are the key properties of 2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol?
2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol has a molecular weight of 288.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 99841271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).