1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol

C16H20N2O2 — CID 60909806

IUPAC1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
SMILESCOc1ccc(C(O)CNCCc2ccncc2)cc1
InChIInChI=1S/C16H20N2O2/c1-20-15-4-2-14(3-5-15)16(19)12-18-11-8-13-6-9-17-10-7-13/h2-7,9-10,16,18-19H,8,11-12H2,1H3
InChIKeyAJRXEKGESSNASD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.96
Rot. Bonds7

About 1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol

1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol (PubChem CID 60909806) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
PubChem CID60909806
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
SMILESCOc1ccc(C(O)CNCCc2ccncc2)cc1
InChIInChI=1S/C16H20N2O2/c1-20-15-4-2-14(3-5-15)16(19)12-18-11-8-13-6-9-17-10-7-13/h2-7,9-10,16,18-19H,8,11-12H2,1H3
InChIKeyAJRXEKGESSNASD-UHFFFAOYSA-N
XLogP1.96
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 81133898
1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
CID 106400913
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
1-(4-methoxyphenyl)-2-(3-methylsulfanylpropylamino)ethanol
CID 60760535
4-[(1S)-1-hydroxy-2-[3-(4-methoxyphenyl)propylamino]ethyl]benzene-1,2-diol
CID 54547683
2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate
CID 83209205
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 114093465
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid
CID 115122769

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol (CID 60909806) is 1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol is COc1ccc(C(O)CNCCc2ccncc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol?
The InChIKey is AJRXEKGESSNASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-15-4-2-14(3-5-15)16(19)12-18-11-8-13-6-9-17-10-7-13/h2-7,9-10,16,18-19H,8,11-12H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol?
1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol has a molecular weight of 272.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol is sourced from PubChem (CID 60909806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).