1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol

C17H22N2O2 — CID 114955325

IUPAC1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
SMILESCOc1ccc(C)cc1C(O)CNCc1cnccc1C
InChIInChI=1S/C17H22N2O2/c1-12-4-5-17(21-3)15(8-12)16(20)11-19-10-14-9-18-7-6-13(14)2/h4-9,16,19-20H,10-11H2,1-3H3
InChIKeyMLYAZIQNBWOCAD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.53
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol

1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol (PubChem CID 114955325) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
PubChem CID114955325
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
SMILESCOc1ccc(C)cc1C(O)CNCc1cnccc1C
InChIInChI=1S/C17H22N2O2/c1-12-4-5-17(21-3)15(8-12)16(20)11-19-10-14-9-18-7-6-13(14)2/h4-9,16,19-20H,10-11H2,1-3H3
InChIKeyMLYAZIQNBWOCAD-UHFFFAOYSA-N
XLogP2.53
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955555
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol
CID 60909056
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111916640
(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 95350933
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
CID 106291344

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol (CID 114955325) is 1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol is COc1ccc(C)cc1C(O)CNCc1cnccc1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol?
The InChIKey is MLYAZIQNBWOCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-4-5-17(21-3)15(8-12)16(20)11-19-10-14-9-18-7-6-13(14)2/h4-9,16,19-20H,10-11H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol?
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol is sourced from PubChem (CID 114955325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).