1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol

C16H20N2O2 — CID 114955555

IUPAC1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
SMILESCOc1cccc(C(O)CNCc2cnccc2C)c1
InChIInChI=1S/C16H20N2O2/c1-12-6-7-17-9-14(12)10-18-11-16(19)13-4-3-5-15(8-13)20-2/h3-9,16,18-19H,10-11H2,1-2H3
InChIKeyBWYALYYZCWRDPR-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.22
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol

1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol (PubChem CID 114955555) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
PubChem CID114955555
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
SMILESCOc1cccc(C(O)CNCc2cnccc2C)c1
InChIInChI=1S/C16H20N2O2/c1-12-6-7-17-9-14(12)10-18-11-16(19)13-4-3-5-15(8-13)20-2/h3-9,16,18-19H,10-11H2,1-2H3
InChIKeyBWYALYYZCWRDPR-UHFFFAOYSA-N
XLogP2.22
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
CID 78954160
1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 81133898
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955325
1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol
CID 81135106
1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 78954234
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111117940
2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol
CID 111114815
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 81134991
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
1-(3-methoxyphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 133470904

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol (CID 114955555) is 1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol is COc1cccc(C(O)CNCc2cnccc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol?
The InChIKey is BWYALYYZCWRDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-6-7-17-9-14(12)10-18-11-16(19)13-4-3-5-15(8-13)20-2/h3-9,16,18-19H,10-11H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol?
1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol has a molecular weight of 272.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol is sourced from PubChem (CID 114955555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).