1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol

C17H22N2O2 — CID 60909056

IUPAC1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol
SMILESCOc1ccc(C)cc1C(O)CNC(C)c1ccncc1
InChIInChI=1S/C17H22N2O2/c1-12-4-5-17(21-3)15(10-12)16(20)11-19-13(2)14-6-8-18-9-7-14/h4-10,13,16,19-20H,11H2,1-3H3
InChIKeyNOHPTHUVDYYQTA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol

1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol (PubChem CID 60909056) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol
PubChem CID60909056
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol
SMILESCOc1ccc(C)cc1C(O)CNC(C)c1ccncc1
InChIInChI=1S/C17H22N2O2/c1-12-4-5-17(21-3)15(10-12)16(20)11-19-13(2)14-6-8-18-9-7-14/h4-10,13,16,19-20H,11H2,1-3H3
InChIKeyNOHPTHUVDYYQTA-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81393339
1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408941
(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405947
(1S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81404842
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382243
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955325
1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol
CID 103784409
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol
CID 83021665

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol (CID 60909056) is 1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol is COc1ccc(C)cc1C(O)CNC(C)c1ccncc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol?
The InChIKey is NOHPTHUVDYYQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-4-5-17(21-3)15(10-12)16(20)11-19-13(2)14-6-8-18-9-7-14/h4-10,13,16,19-20H,11H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol?
1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.78, 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-(1-pyridin-4-ylethylamino)ethanol is sourced from PubChem (CID 60909056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).